data_5t1o_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 5t1o _Structure_validation_residue.Date_analyzed 2016-11-11 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 ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.1 p -82.91 159.96 22.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 67' ' ' ALA . 16.8 m -134.62 118.29 25.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 17.5 pttp -125.07 174.32 8.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -163.22 131.86 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.434 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 14.8 t -77.98 129.23 35.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.44 123.62 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.46 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.543 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -80.26 126.81 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.559 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.443 HD13 HG22 ' A' ' 9' ' ' ILE . 71.4 mt -90.16 105.84 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.662 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.497 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -82.98 55.13 2.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.51 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 63.81 25.44 14.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.52 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 3.2 ttpt -165.96 97.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.858 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -61.98 -1.56 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.515 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . 147.97 -124.18 1.85 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.32 98.67 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.434 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 54.56 -96.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.479 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.412 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . -144.08 -0.16 1.03 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.551 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.601 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 14.6 mmp_? -52.33 -45.96 94.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.545 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.601 ' HD3' ' HB2' ' A' ' 18' ' ' ARG . 52.3 Cg_exo -47.63 -49.43 13.44 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.853 2.369 . . . . 0.0 112.134 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.0 90.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.647 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -69.43 -43.33 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.18 -37.88 86.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD21 ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -48.65 -43.69 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.525 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.35 -36.27 75.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.675 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -76.27 -34.63 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.896 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 96.6 mt -68.0 -40.96 82.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.817 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 2.8 tpp -58.24 -27.91 64.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.657 ' N ' HE21 ' A' ' 28' ' ' GLN . 0.0 OUTLIER -87.2 -28.71 22.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.599 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.9 -25.04 35.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.896 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 2.0 p90 -119.44 135.7 54.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.574 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 29.9 t0 -77.75 110.82 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.601 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.772 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 155.13 148.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -98.23 129.07 44.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.61 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -106.82 132.47 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 mp -133.54 138.56 46.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.776 ' C ' ' HG2' ' A' ' 37' ' ' ARG . 4.2 mp -108.87 149.42 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.477 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.776 ' HG2' ' C ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -146.15 134.28 21.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.499 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.489 ' ND2' ' SD ' ' A' ' 54' ' ' MET . 67.1 m-80 -90.72 155.36 18.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -52.82 -26.99 16.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 34.5 tt0 -68.82 -9.93 53.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.549 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' OE2' ' A' ' 43' ' ' GLU . . . 91.44 12.14 60.06 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -85.3 116.48 23.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -77.69 103.04 7.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.63 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.27 65.39 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.553 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -40.64 120.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.7 -10.17 11.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -99.7 28.46 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.548 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -146.55 123.8 11.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 50' ' ' ILE . 18.1 m -63.75 -35.61 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.404 ' H ' HG22 ' A' ' 49' ' ' VAL . 60.5 mt -61.47 -37.0 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.507 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.45 91.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.6 tp -58.23 -38.78 77.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 mt -65.18 -36.75 85.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.515 ' CE ' HH12 ' A' ' 61' ' ' ARG . 1.9 tmt? -67.89 -36.79 80.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.69 -36.06 81.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -52.72 -35.19 55.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.9 p -76.19 -6.59 51.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.25 29.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -69.84 97.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.02 4.72 38.67 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.515 HH12 ' CE ' ' A' ' 54' ' ' MET . 24.1 mtm180 -105.47 165.44 11.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.745 0.307 . . . . 0.0 110.546 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.61 143.15 29.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 pt -130.02 163.64 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.589 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -126.09 100.6 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -80.52 129.44 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -121.76 139.47 53.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.533 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.621 ' O ' HG22 ' A' ' 3' ' ' VAL . . . -138.42 131.48 29.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.622 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.1 m -121.91 140.76 52.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.615 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.8 ' O ' ' HG3' ' A' ' 72' ' ' GLU . . . 133.52 -177.11 19.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -72.62 -37.01 4.37 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.839 2.359 . . . . 0.0 112.13 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.1 mt-30 -97.9 3.89 49.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.594 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.855 ' CD ' ' N ' ' A' ' 73' ' ' GLU . 1.2 pp20? -35.86 -42.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.569 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.855 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 4.1 tp10 -57.86 -50.01 74.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.4 tm-20 -57.87 -52.52 65.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.26 -49.82 71.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.574 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.2 tp -64.29 -44.64 91.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.42 99.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.645 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.45 -43.18 91.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -64.22 -41.32 92.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.479 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.22 -37.06 85.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.56 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.21 -37.16 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.72 -32.36 70.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.553 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 85' ' ' SER . 62.3 m-80 -82.41 -5.73 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 3.3 m . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.49 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 27.0 mm -108.86 132.61 56.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -87.63 109.93 20.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' B' ' 391' ' ' GLY . . . -118.74 149.6 41.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' B' ' 174' ' ' LEU . 3.7 mm? -73.05 117.56 61.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . 0.421 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 49.3 Cg_endo -72.75 112.09 3.41 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.789 2.326 . . . . 0.0 112.108 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -90.81 -22.77 20.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -147.64 108.86 3.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.47 161.29 0.29 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.82 2.347 . . . . 0.0 112.128 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . 0.596 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 118.44 159.91 11.33 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.9 p -128.21 144.65 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.499 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -154.41 150.22 27.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.571 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 8.3 tt -126.1 131.43 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -177.55 168.21 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.531 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 184' ' ' GLU . 10.8 pm0 -74.47 162.79 28.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.548 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.659 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.75 122.87 7.7 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -131.81 135.61 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.544 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.772 0.32 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.575 ' H ' ' CD1' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -98.17 91.26 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.652 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 30.5 p-10 -157.02 46.31 0.25 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . 0.652 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 54.4 Cg_exo -46.81 -54.36 5.02 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.83 2.353 . . . . 0.0 112.117 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -81.89 -49.96 9.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -49.23 -43.49 42.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' B' ' 208' ' ' GLU . 5.4 tp10 -71.64 -50.24 32.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -52.19 -53.45 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.476 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.8 -39.7 92.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.494 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.419 HH12 ' CD ' ' B' ' 269' ' ' GLU . 14.2 ttt-85 -55.64 -39.93 71.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.454 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -50.4 67.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 89.4 m -56.13 -49.49 73.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.46 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.77 -36.0 84.66 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.37 -40.44 77.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.485 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.8 mm? -57.22 -51.01 71.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.37 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 4.0 mm-40 -52.47 -36.07 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.357 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -79.24 -32.04 43.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.402 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.0 -49.34 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.399 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.697 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.44 -49.81 73.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.373 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 98.0 m-20 -64.65 -33.41 75.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.383 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 3.3 tm-20 -70.32 -34.93 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.464 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.66 -43.94 52.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -61.82 -40.63 95.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.397 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -33.69 70.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.735 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.2 OUTLIER -60.46 -57.19 13.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 68.1 p -59.5 -41.54 90.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.531 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -38.37 45.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -69.92 -41.26 74.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.96 -49.23 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.41 65.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.84 -18.16 65.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . 0.904 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -142.42 -91.83 0.17 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.904 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -10.1 -122.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.636 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.71 176.19 8.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -83.71 -27.17 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.647 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.67 -44.08 97.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.589 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 238' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.81 -54.72 30.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' B' ' 243' ' ' ASP . . . -54.52 -43.52 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.14 82.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.39 -62.46 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.531 ' O ' ' N ' ' B' ' 245' ' ' TYR . 33.3 m-85 -57.4 -61.04 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' B' ' 242' ' ' PHE . 66.7 t0 -35.42 -42.67 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.596 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . 0.46 ' O ' ' ND1' ' B' ' 247' ' ' HIS . 22.9 tp -65.74 -43.29 89.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.533 ' O ' ' HB3' ' B' ' 248' ' ' LEU . 0.4 OUTLIER -71.65 -39.08 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.634 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 41.0 t -50.23 -43.82 53.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' B' ' 244' ' ' LEU . 0.0 OUTLIER -70.17 -29.26 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.592 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' B' ' 245' ' ' TYR . 3.9 tp -59.79 -66.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . 0.589 HD12 ' N ' ' B' ' 250' ' ' SER . 3.0 pp -52.9 -38.51 61.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.585 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 250' ' ' SER . . . . . 0.589 ' N ' HD12 ' B' ' 249' ' ' LEU . 51.9 p -75.6 -19.2 59.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.537 ' C ' ' H ' ' B' ' 253' ' ' ARG . 62.2 t0 -57.49 123.03 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.58 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 1.8 t -52.5 -6.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.565 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.854 ' O ' ' HG3' ' B' ' 256' ' ' ARG . 2.5 ttp-105 -75.15 -49.88 18.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.89 -45.25 78.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -58.72 -49.68 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . 0.854 ' HG3' ' O ' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -58.38 -40.22 81.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.556 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' B' ' 256' ' ' ARG . 2.4 mt-10 -59.17 -49.51 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 6.8 mp -59.75 -47.37 85.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -31.3 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.671 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.3 97.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . 0.517 ' HA ' ' HZ2' ' B' ' 264' ' ' LYS . 80.6 mm-40 -63.15 -37.39 87.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 45.1 t -68.09 -33.36 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.92 -19.06 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . 0.517 ' HZ2' ' HA ' ' B' ' 261' ' ' GLU . 15.4 mttp -96.58 -24.55 15.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.558 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.65 21.42 2.19 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 45.9 t -85.69 154.4 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.603 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.639 ' O ' ' HB1' ' B' ' 271' ' ' ALA . 39.9 t -97.48 133.49 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.573 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -46.14 -54.15 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.519 ' N ' ' OE1' ' B' ' 269' ' ' GLU . 2.0 mp0 -39.97 -55.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.454 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . 0.512 ' N ' ' CD1' ' B' ' 270' ' ' TRP . 5.7 m0 -82.33 -41.17 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.509 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' B' ' 267' ' ' VAL . . . -53.52 -51.89 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.513 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.489 HG13 ' H ' ' B' ' 273' ' ' LYS . 7.2 p -57.54 -39.77 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . 0.489 ' H ' HG13 ' B' ' 272' ' ' VAL . 4.8 ttmt -67.75 -42.68 81.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 72.2 p -64.85 -47.96 76.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.515 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.63 -47.84 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.442 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.73 -38.42 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.577 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 80.0 tt0 -65.58 -42.78 91.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.391 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -62.35 -36.59 82.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.396 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . 0.504 ' CE2' ' NH1' ' B' ' 253' ' ' ARG . 1.5 m-85 -71.42 -35.22 70.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.446 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -51.19 -41.8 60.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.456 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.577 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 4.6 mp0 -69.29 -36.98 77.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -66.11 -40.72 90.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.86 -39.2 90.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.54 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -66.83 -44.85 80.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -38.38 -32.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.656 ' O ' ' HD2' ' B' ' 292' ' ' LYS . 39.0 tp -65.2 142.24 58.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.607 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 287' ' ' SER . . . . . 0.462 ' H ' HD11 ' B' ' 286' ' ' LEU . 43.2 t -92.16 -39.0 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.699 ' O ' ' HB3' ' B' ' 292' ' ' LYS . 9.3 t70 -60.26 105.26 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -69.61 -23.2 63.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.95 -22.47 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' B' ' 294' ' ' ARG . 0.1 OUTLIER -138.33 -39.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.55 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.699 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -39.52 -46.44 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.545 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' B' ' 292' ' ' LYS . 8.8 tm-20 -46.72 -24.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.524 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' B' ' 291' ' ' LEU . 68.8 mmt-85 -40.12 -29.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -46.79 -50.23 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.47 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -52.05 -42.35 54.42 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . 0.518 ' OD2' ' NE2' ' B' ' 356' ' ' GLN . 63.0 m-20 -64.0 -40.33 96.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.46 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 12.5 tp -56.43 -50.14 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.398 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -49.96 -43.95 50.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.385 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.15 93.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.435 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 11.5 tp -59.73 -43.69 94.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.312 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.06 99.41 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.3 -40.19 81.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 0.0 110.396 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 5.8 mmm-85 -66.36 -40.24 89.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 36.0 mt -67.69 -36.89 81.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -44.19 91.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.452 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -72.53 -38.53 68.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.5 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 63.6 m-70 -70.54 -24.2 62.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.31 -11.38 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.504 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.56 104.16 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.532 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.814 0.34 . . . . 0.0 110.593 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.455 ' HB3' ' O ' ' B' ' 322' ' ' ARG . 7.7 p90 177.52 177.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 1.8 pt -124.94 151.49 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.41 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.5 OUTLIER -85.39 135.5 33.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.59 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . 0.537 ' O ' HG12 ' B' ' 326' ' ' VAL . 7.2 p -124.16 97.21 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.594 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.691 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -129.94 152.62 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 42.9 p-10 -60.08 -29.09 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 0.0 OUTLIER -146.02 133.89 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.579 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.47 112.26 3.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 331' ' ' SER . . . . . 0.418 ' OG ' ' OE1' ' B' ' 329' ' ' GLU . 57.9 m -111.23 118.05 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.574 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.68 -42.85 68.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 29.1 p -57.71 -41.32 81.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.629 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 86.7 m -58.99 -50.62 73.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.493 ' C ' ' H ' ' B' ' 337' ' ' GLU . 1.8 tt -61.18 -38.78 87.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . 0.735 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -65.59 2.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.493 ' H ' ' C ' ' B' ' 335' ' ' LEU . 41.5 tt0 -104.57 -33.71 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.473 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 90.6 mt -103.45 150.21 37.8 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . 0.819 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 51.1 Cg_endo -72.81 130.58 15.9 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.813 2.342 . . . . 0.0 112.119 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' B' ' 343' ' ' LEU . 1.4 tm0? -65.59 -35.04 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.819 ' OD1' ' HB2' ' B' ' 339' ' ' PRO . 44.3 p-10 -48.13 -43.15 30.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.642 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 18.8 mmt180 -91.35 -8.15 48.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.642 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' B' ' 340' ' ' GLN . 1.0 OUTLIER -109.7 120.13 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.797 ' CG1' ' H ' ' B' ' 345' ' ' GLY . 14.9 p -100.67 -66.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . 0.797 ' H ' ' CG1' ' B' ' 344' ' ' VAL . . . -128.72 -175.49 14.08 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.41 HG22 ' O ' ' B' ' 325' ' ' LEU . 0.2 OUTLIER -164.72 141.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.547 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 19.7 t -113.31 124.63 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.691 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 11.2 m -111.01 161.52 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -100.1 1.79 42.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 352' ' ' ALA . 28.3 t0 -154.84 -93.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . 0.633 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 17.58 50.16 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . 0.651 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -89.76 169.2 11.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.631 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' B' ' 352' ' ' ALA . . . 87.34 -154.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -107.73 47.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 69.3 m -54.09 150.15 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.593 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . 0.518 ' NE2' ' OD2' ' B' ' 297' ' ' ASP . 0.0 OUTLIER -48.31 -36.69 14.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.583 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -83.81 -20.97 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.676 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -84.29 -29.9 26.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 16.5 tt -84.25 -31.92 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 360' ' ' MET . . . . . 0.549 ' CG ' ' N ' ' B' ' 361' ' ' VAL . 2.5 ptt? -74.4 -42.85 58.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . 0.549 ' N ' ' CG ' ' B' ' 360' ' ' MET . 8.3 p -66.53 -42.83 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.46 ' N ' ' CG1' ' B' ' 361' ' ' VAL . 12.2 ttm-85 -59.46 -47.88 83.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -66.22 -24.84 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -29.4 66.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.534 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 89.55 28.7 18.56 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 1.2 mp -105.53 126.27 31.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.65 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . 0.439 ' C ' ' HG1' ' B' ' 368' ' ' THR . 53.1 Cg_exo -47.49 131.72 19.38 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.898 2.398 . . . . 0.0 112.11 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 368' ' ' THR . . . . . 0.439 ' HG1' ' C ' ' B' ' 367' ' ' PRO . 5.7 m -149.76 141.14 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.83 151.55 25.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.465 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 370' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -136.55 168.97 18.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.626 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 94.84 -0.27 64.63 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -60.4 114.91 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.83 44.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 9.9 tt -125.69 148.65 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.582 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -88.5 147.67 40.31 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -72.82 -13.0 26.71 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.894 2.396 . . . . 0.0 112.132 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 377' ' ' SER . . . . . 0.5 ' HG ' ' N ' ' B' ' 378' ' ' VAL . 89.5 p -55.44 -44.65 76.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.482 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . 0.5 ' N ' ' HG ' ' B' ' 377' ' ' SER . 33.4 m -90.63 23.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' B' ' 380' ' ' HIS . 13.9 mt -116.45 -31.36 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.659 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER 16.85 -84.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.2 OUTLIER -137.46 21.22 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -62.14 167.97 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.599 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 24.2 m -87.58 128.05 35.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . 0.499 HD12 ' O ' ' B' ' 394' ' ' LEU . 19.5 tp -136.16 118.97 16.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.505 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . 0.598 ' N ' ' CD1' ' B' ' 385' ' ' ILE . 2.7 mp -98.84 113.85 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.623 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 1.3 p -97.75 133.34 40.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.675 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.8 t0 -124.44 87.67 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . 0.596 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -51.65 -44.11 54.02 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -52.54 23.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.333 . . . . 0.0 110.628 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . 0.546 ' NH1' ' OE2' ' B' ' 392' ' ' GLU . 6.9 mmm180 -103.43 7.35 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.468 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 40.39 47.6 3.68 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . 0.546 ' OE2' ' NH1' ' B' ' 390' ' ' ARG . 6.2 mt-10 -114.65 153.45 30.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.593 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.28 109.65 12.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.522 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 22.5 mt -93.33 156.49 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.628 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.599 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 94.3 t -129.74 111.06 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' B' ' 395' ' ' VAL . 23.3 m-20 24.27 54.47 0.28 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.599 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 45.8 Cg_endo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 122.78 2.32 . . . . 0.0 112.092 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.6 m -83.39 158.13 22.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.453 HG11 ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER -132.56 118.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.648 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -125.61 172.36 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.657 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 6' ' ' THR . 15.4 tm0? -161.21 133.46 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.536 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.586 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 63.6 p -79.68 129.19 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.599 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.15 125.55 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.8 125.56 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.595 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.499 HG22 HD12 ' A' ' 9' ' ' ILE . 52.8 mt -88.64 104.66 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.611 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.25 59.37 4.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.636 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 m120 62.2 21.42 12.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -162.05 103.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 2.5 pp -65.91 -6.84 13.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.625 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.663 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 124.76 45.99 0.25 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' HIS . 6.6 tpt 71.0 70.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.557 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.575 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -39.53 148.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.525 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 16' ' ' HIS . . . 86.3 33.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.763 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -167.75 -69.12 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.55 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.763 ' HD3' ' CB ' ' A' ' 18' ' ' ARG . 50.4 Cg_exo -49.24 -53.85 6.37 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.888 2.392 . . . . 0.0 112.109 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.39 96.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.581 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -67.19 -42.28 84.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -62.05 -36.93 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.66 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 mt -50.32 -44.68 54.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.59 -37.52 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -74.59 -34.46 62.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.694 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.854 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 34.7 mt -68.44 -41.04 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.581 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.841 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 47.9 ttm -57.56 -28.8 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.578 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -86.33 -29.77 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.631 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.52 -24.19 44.01 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.854 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.7 p90 -120.39 136.79 54.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.759 0.314 . . . . 0.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 91.8 m-20 -78.96 109.96 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.548 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.793 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.8 147.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.75 127.77 43.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 t -106.01 133.37 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.491 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mp -134.41 138.05 44.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.651 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -106.24 151.32 24.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.49 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.532 ' H ' HD13 ' A' ' 63' ' ' ILE . 52.8 mtt180 -148.41 133.35 18.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.407 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 63.0 m-80 -91.75 155.65 18.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.62 -28.99 23.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.586 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.75 -11.92 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.44 11.01 58.76 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 38' ' ' ASN . 44.4 p -83.92 117.49 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.735 0.303 . . . . 0.0 110.546 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.475 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -78.24 103.08 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.568 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.435 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.1 65.45 7.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' CD ' HD22 ' A' ' 47' ' ' ASN . 6.8 tt0 -41.12 120.68 1.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.76 -8.77 7.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.432 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.491 HD22 ' CD ' ' A' ' 45' ' ' GLU . 51.7 p30 -100.56 27.03 6.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.531 ' OG ' ' NE ' ' B' ' 253' ' ' ARG . 0.3 OUTLIER -145.72 123.75 12.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.601 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.1 m -63.62 -35.43 72.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.4 tt -61.46 -36.9 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.435 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.96 -42.67 89.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.3 -38.42 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.6 mt -65.2 -36.39 84.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 53.0 ttm -68.43 -36.55 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.23 -35.18 79.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -53.08 -34.66 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.6 p -76.79 -6.58 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.89 28.59 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.524 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -68.57 97.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.6 4.93 39.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.2 165.42 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -98.71 142.21 30.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.532 HD13 ' H ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -129.56 162.27 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' N ' HD13 ' A' ' 63' ' ' ILE . 38.4 tt0 -124.9 101.31 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 m -80.83 130.16 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -122.03 140.15 52.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.68 130.7 26.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.647 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -121.39 141.14 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.44 -176.54 19.58 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.406 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 52.2 Cg_endo -73.08 -37.05 3.73 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.788 2.325 . . . . 0.0 112.129 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 74' ' ' GLU . 5.1 mm100 -97.81 3.01 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.42 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 71' ' ' GLN . 18.4 pt-20 -35.46 -42.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.529 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 41.0 tp10 -58.17 -49.48 76.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 71' ' ' GLN . 68.9 mm-40 -58.93 -50.45 74.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.07 77.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -44.21 90.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.38 99.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.51 98.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -66.49 -43.12 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.623 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.531 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -64.05 -41.81 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.68 81.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -73.43 -36.57 65.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.3 m-85 -71.12 -32.31 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 85' ' ' SER . 35.8 m-80 -81.85 -4.62 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.5 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.548 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.75 137.15 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.696 ' HE ' ' N ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -87.34 111.99 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -115.77 157.08 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.61 ' CD2' ' N ' ' B' ' 174' ' ' LEU . 2.6 mm? -77.51 117.4 65.3 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.557 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.27 111.94 3.32 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.906 2.404 . . . . 0.0 112.102 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -88.88 -32.1 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.543 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -143.85 103.78 4.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.662 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.11 139.14 15.7 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.923 2.415 . . . . 0.0 112.14 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 141.49 164.7 10.1 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 98.3 t -110.57 153.38 12.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.349 . . . . 0.0 110.501 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -155.69 129.46 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.604 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 14.1 tt -123.49 121.92 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -174.71 174.21 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.51 150.49 25.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.626 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.536 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -78.37 141.43 24.84 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -144.52 120.36 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.515 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 87.4 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.665 0.269 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.617 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 7.6 mp -43.46 116.51 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.679 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 83.7 m-20 -151.2 44.39 0.29 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.543 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . 0.679 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 58.5 Cg_exo -46.72 -49.25 12.5 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.736 2.291 . . . . 0.0 112.102 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -52.87 -56.35 16.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -44.37 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -61.46 -54.4 43.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -53.61 -48.28 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.439 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . 0.435 ' HA ' ' OG1' ' B' ' 213' ' ' THR . 4.9 mt-10 -64.66 -35.63 81.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.466 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -54.38 -47.12 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -50.25 49.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 213' ' ' THR . . . . . 0.486 ' HG1' ' N ' ' B' ' 214' ' ' GLY . 68.1 p -56.14 -52.25 65.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . 0.486 ' N ' ' HG1' ' B' ' 213' ' ' THR . . . -62.19 -35.97 92.31 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -74.9 -41.05 60.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' B' ' 220' ' ' ALA . 10.3 tp -58.01 -49.75 75.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.979 ' O ' ' HB3' ' B' ' 221' ' ' ASN . 40.8 mm-40 -55.58 -33.97 64.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . 0.59 ' O ' ' CB ' ' B' ' 222' ' ' GLU . 2.2 mt-10 -83.7 -25.3 30.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.449 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -92.87 -59.33 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.464 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.576 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.72 -50.5 70.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.545 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.979 ' HB3' ' O ' ' B' ' 217' ' ' GLU . 1.3 t30 -66.29 -34.1 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.59 ' CB ' ' O ' ' B' ' 218' ' ' GLU . 3.8 tm-20 -71.62 -35.06 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.474 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -77.45 -41.03 41.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.454 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -62.68 -40.59 97.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -72.6 -33.34 66.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.494 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -51.79 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.616 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 227' ' ' SER . . . . . 0.604 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 64.1 p -64.79 -37.46 87.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.428 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -52.63 -36.7 57.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 33.1 ttp-105 -78.42 -46.07 20.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' B' ' 234' ' ' ALA . 11.8 m-85 -52.17 -49.47 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -45.64 -38.7 6.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -51.85 -20.9 2.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . 0.74 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -143.64 -63.6 0.02 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.74 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -34.31 172.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.521 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.761 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 0.6 OUTLIER -82.88 168.65 16.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . 0.761 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 0.0 OUTLIER -60.02 -27.76 67.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.83 -52.24 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.621 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.494 ' OG1' ' SD ' ' B' ' 360' ' ' MET . 1.2 m -54.63 -57.75 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -51.9 -41.19 61.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.556 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.36 83.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.486 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.11 -50.87 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.618 ' CG ' ' N ' ' B' ' 243' ' ' ASP . 0.0 OUTLIER -52.81 -60.43 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.493 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.618 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 35.3 t0 -41.81 -41.29 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.498 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . 0.418 HD11 ' O ' ' B' ' 244' ' ' LEU . 9.0 tp -80.44 -37.5 31.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.605 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -62.57 -53.2 58.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 15.8 p -53.96 -42.92 69.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.458 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 15.6 t60 -71.59 -28.17 63.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.541 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 8.9 tt -74.01 -43.82 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.591 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.9 -40.21 40.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 77.1 p -70.0 -21.4 63.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.626 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.837 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 38.1 p-10 -51.02 127.65 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.503 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 9.5 t -61.27 4.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.573 ' H ' ' C ' ' B' ' 251' ' ' ASP . 85.9 mtt-85 -80.55 -40.01 26.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.43 -45.85 82.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.639 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -43.4 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -60.61 -42.96 97.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.594 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -62.66 -50.11 72.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.703 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.21 -58.41 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.691 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . 0.764 ' O ' HG23 ' B' ' 262' ' ' VAL . 89.4 t80 -52.17 -35.84 49.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.18 89.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.704 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . 0.407 ' HA ' ' HZ3' ' B' ' 264' ' ' LYS . 20.1 mm-40 -66.59 -45.93 77.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 259' ' ' PHE . 1.3 m -66.02 -31.19 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.545 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -51.99 -19.76 2.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . 0.407 ' HZ3' ' HA ' ' B' ' 261' ' ' GLU . 0.1 OUTLIER -99.55 -17.76 17.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.568 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 122.21 17.77 3.59 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 70.7 m -83.2 153.89 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.487 HG13 ' H ' ' B' ' 270' ' ' TRP . 12.0 p -97.94 147.16 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.532 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -50.28 -46.6 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.74 -54.67 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.486 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . 0.496 ' CE3' ' OG1' ' B' ' 274' ' ' THR . 0.0 OUTLIER -81.23 -36.8 29.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.538 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' B' ' 275' ' ' VAL . . . -52.1 -53.0 47.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' B' ' 276' ' ' ILE . 18.0 m -67.79 -31.9 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -73.65 -50.08 22.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 274' ' ' THR . . . . . 0.496 ' OG1' ' CE3' ' B' ' 270' ' ' TRP . 11.6 m -65.41 -55.84 15.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.544 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' B' ' 271' ' ' ALA . 94.0 t -47.51 -56.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.454 HD13 ' N ' ' B' ' 276' ' ' ILE . 1.5 mp -57.36 -43.38 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -63.09 -39.77 95.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.653 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -36.18 78.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -71.79 -32.71 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -66.77 -35.5 80.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.505 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' B' ' 281' ' ' GLU . 0.1 OUTLIER -72.5 -41.52 65.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.462 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -61.64 -41.95 98.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.519 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.547 ' CD2' ' N ' ' B' ' 283' ' ' PHE . 5.5 m-30 -71.01 -35.72 72.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.93 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.565 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -43.98 -32.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.644 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.615 ' CD1' ' OD1' ' B' ' 288' ' ' ASP . 1.7 mm? -62.48 161.64 11.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.541 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 98.2 p -109.48 -22.41 12.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.748 ' O ' ' HB3' ' B' ' 292' ' ' LYS . 2.2 p-10 -59.01 94.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -65.64 -28.68 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.605 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -58.5 -16.21 14.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.613 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' B' ' 294' ' ' ARG . 4.3 mp -144.45 -52.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.589 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.748 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -31.94 -39.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.425 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . 0.666 ' N ' ' HG3' ' B' ' 292' ' ' LYS . 7.2 tm-20 -55.1 -20.03 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.518 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.757 HH11 ' CG ' ' B' ' 297' ' ' ASP . 3.7 mmp_? -41.57 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.512 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -43.5 -47.24 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.502 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.44 -44.6 28.64 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . 0.757 ' CG ' HH11 ' B' ' 294' ' ' ARG . 1.2 m-20 -63.06 -42.64 99.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . 0.411 ' N ' HD21 ' B' ' 298' ' ' LEU . 3.1 mm? -53.5 -53.84 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -55.22 -39.0 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.423 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . 0.436 ' HB2' ' OG1' ' B' ' 333' ' ' THR . . . -66.37 -40.15 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.374 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . 0.577 ' HG ' ' N ' ' B' ' 302' ' ' GLY . 0.1 OUTLIER -54.39 -42.45 70.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.502 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . 0.577 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -62.87 -43.22 99.25 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.24 -42.44 98.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.386 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.652 ' O ' ' CD2' ' B' ' 308' ' ' HIS . 0.5 OUTLIER -69.26 -40.15 77.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.355 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 1.3 tp -68.52 -39.08 81.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.341 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.54 -43.17 97.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.466 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -64.79 -41.64 95.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.535 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . 0.652 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 83.0 m-70 -73.52 -24.34 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.513 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.05 -21.28 64.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -108.32 118.93 38.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.686 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.519 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.837 0.351 . . . . 0.0 110.578 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 5.2 m-85 -173.33 157.05 3.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.49 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . 0.43 HG22 ' N ' ' B' ' 325' ' ' LEU . 4.8 mt -117.37 151.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.43 ' N ' HG22 ' B' ' 324' ' ' ILE . 0.1 OUTLIER -97.64 126.56 43.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.565 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.34 96.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.515 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -130.36 158.06 40.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 17.8 p30 -73.87 -24.7 59.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.49 124.74 12.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 2.3 tp -75.98 122.01 23.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.637 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 331' ' ' SER . . . . . 0.536 ' O ' ' OG1' ' B' ' 334' ' ' THR . 70.2 m -135.9 133.81 38.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.62 -44.17 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.642 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 333' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' B' ' 334' ' ' THR . 2.7 t -48.42 -44.11 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 334' ' ' THR . . . . . 0.545 ' N ' ' CG2' ' B' ' 333' ' ' THR . 5.6 p -71.75 -51.27 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.1 OUTLIER -59.18 -34.05 71.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.502 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.26 8.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.566 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.534 ' H ' ' C ' ' B' ' 335' ' ' LEU . 0.7 OUTLIER -106.41 -32.43 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 3.0 mp -113.1 119.05 43.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.65 144.12 11.28 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.858 2.372 . . . . 0.0 112.087 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -60.29 -25.02 65.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -58.95 -45.25 90.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.474 HH11 ' CG ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -77.46 -7.46 56.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.624 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.474 ' CG ' HH11 ' B' ' 342' ' ' ARG . 5.1 tt -100.6 100.43 11.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 28.1 m -110.76 8.39 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.679 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -176.95 151.09 10.79 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.6 142.45 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.27 110.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.595 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 0.2 OUTLIER -110.0 154.46 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.577 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . 0.448 HH21 ' HD3' ' B' ' 349' ' ' ARG . 36.9 mtp-105 -89.86 -32.53 16.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.638 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' B' ' 351' ' ' GLY . 10.7 t70 -132.77 -120.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.629 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 25.39 75.78 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . 0.661 ' O ' ' CB ' ' B' ' 353' ' ' ALA . . . -116.54 178.92 4.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.803 0.335 . . . . 0.0 110.451 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . 0.661 ' CB ' ' O ' ' B' ' 352' ' ' ALA . . . 94.08 -141.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.555 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -95.24 62.05 2.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.74 144.61 41.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.39 -55.58 8.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.82 -32.02 67.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.444 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.84 92.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.487 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 79.7 mt -76.03 -29.53 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.471 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 360' ' ' MET . . . . . 0.494 ' SD ' ' OG1' ' B' ' 238' ' ' THR . 5.8 ttt -65.78 -55.58 16.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 35.8 m -59.08 -42.58 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -58.82 -55.39 35.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.02 -30.12 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.519 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -66.82 -31.54 72.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.52 27.74 19.02 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.61 130.78 22.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.939 0.4 . . . . 0.0 110.639 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.24 124.35 8.96 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.781 2.321 . . . . 0.0 112.167 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 53.8 m -141.75 142.37 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.643 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -136.01 146.42 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.608 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.465 ' O ' ' N ' ' B' ' 174' ' ' LEU . 1.7 mtp -134.02 163.16 30.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 93.03 5.56 63.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -58.52 110.57 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.473 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.28 31.74 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.6 tp -119.16 136.46 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' B' ' 375' ' ' GLN . 3.7 mm100 -75.4 143.62 76.53 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -72.45 -23.05 20.72 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.805 2.337 . . . . 0.0 112.144 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 45.1 t -52.55 -40.27 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 375' ' ' GLN . 28.5 m -77.76 -31.08 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' B' ' 381' ' ' ARG . 72.7 mt -69.75 -37.28 76.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.536 ' O ' ' O ' ' B' ' 185' ' ' GLY . 3.1 t-80 31.84 -84.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.508 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.695 ' N ' ' O ' ' B' ' 379' ' ' LEU . 1.2 ptp85 -143.11 28.16 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.43 170.71 15.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.611 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 383' ' ' THR . . . . . 0.411 ' CG2' ' CD1' ' B' ' 385' ' ' ILE . 77.5 m -75.6 124.41 27.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.63 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 7.5 tp -124.94 112.39 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.481 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . 0.488 ' O ' HG21 ' B' ' 385' ' ' ILE . 1.8 mp -111.57 90.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.622 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . 0.544 HG22 ' H ' ' B' ' 387' ' ' ASP . 7.4 p -82.79 156.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.4 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.715 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.3 t0 -136.04 90.0 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.82 -46.63 31.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -50.95 -40.1 56.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.781 0.324 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' B' ' 392' ' ' GLU . 0.5 OUTLIER -114.39 11.57 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.526 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 34.35 46.68 0.54 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' B' ' 390' ' ' ARG . 46.7 mt-10 -112.46 151.45 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.574 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 4.3 tt -126.32 117.9 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.564 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 79.7 mt -105.76 153.28 22.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.581 ' O ' ' C ' ' B' ' 396' ' ' ASP . 0.0 OUTLIER -126.36 107.44 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.581 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.0 OUTLIER 24.65 55.45 0.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.564 ' HG3' ' HB3' ' B' ' 394' ' ' LEU . 43.6 Cg_endo . . . . . 0 C--N 1.305 -1.732 0 C-N-CA 122.762 2.308 . . . . 0.0 112.068 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.4 p -83.3 158.65 22.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.6 t -132.29 119.87 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -127.28 172.31 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.633 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -162.41 133.49 5.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.5 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.1 m -78.62 129.58 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.712 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.504 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 16.4 m -130.52 123.59 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.424 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 24.1 pt-20 -80.46 128.02 33.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.644 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 mm -91.51 105.72 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.479 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 1.066 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 47.0 p -83.59 56.84 3.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.636 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 1.066 ' OD1' ' C ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 64.66 20.62 12.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -161.38 103.35 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -2.39 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.586 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.678 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 115.11 31.59 2.02 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.678 ' CB ' ' O ' ' A' ' 14' ' ' GLY . 7.9 tpt 94.88 49.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.83 0.348 . . . . 0.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.636 ' ND1' ' O ' ' A' ' 16' ' ' HIS . 21.3 p80 -31.01 91.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 15' ' ' MET . . . 158.49 -31.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.899 ' H ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -109.2 -42.03 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.537 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.899 ' HD2' ' H ' ' A' ' 18' ' ' ARG . 34.1 Cg_endo -67.58 -50.11 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.767 2.311 . . . . 0.0 112.131 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.89 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.519 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.647 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -74.56 -42.06 59.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.687 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 17.2 mtpp -59.71 -38.53 81.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.82 -46.07 41.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.69 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -56.37 -38.51 71.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -74.19 -33.99 63.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.915 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 68.5 mt -69.99 -38.6 76.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.712 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.848 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 24.0 ttp -60.05 -27.23 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.573 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -87.68 -30.05 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.718 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.79 -27.78 37.15 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.915 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.9 p90 -117.23 138.84 51.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.675 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 16.5 m-20 -80.35 111.7 16.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.454 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.745 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 155.64 148.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -98.32 127.45 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.692 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.403 ' O ' HD12 ' A' ' 35' ' ' LEU . 22.1 t -105.45 134.62 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.487 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 34' ' ' VAL . 1.1 mp -135.78 136.17 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.602 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 1.5 mm? -105.34 150.55 25.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.42 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.716 ' O ' HG23 ' A' ' 63' ' ' ILE . 2.9 mtt180 -147.29 134.07 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.554 HD22 ' CB ' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -91.97 154.61 18.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 42.9 p-10 -51.78 -28.49 15.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.608 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 19.5 mt-10 -67.35 -10.87 55.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.592 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.37 11.3 59.8 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.22 117.35 23.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.702 0.287 . . . . 0.0 110.568 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.496 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -78.28 102.49 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.58 65.75 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -41.21 120.94 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.67 -10.32 12.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.471 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 54.7 p30 -99.58 27.56 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.6 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -145.52 123.1 11.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.401 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 1.6 m -63.0 -36.74 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.406 HG22 ' CE1' ' B' ' 283' ' ' PHE . 11.6 pt -60.82 -37.08 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.62 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.19 93.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.535 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.3 mp -57.96 -39.02 77.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.487 ' O ' ' OD2' ' B' ' 288' ' ' ASP . 3.8 mp -64.64 -36.45 84.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.1 ttm -68.43 -36.51 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.62 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.37 -34.89 78.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.43 ' OD2' ' HG ' ' B' ' 291' ' ' LEU . 8.1 m-20 -53.6 -34.32 58.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.647 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.541 ' HG ' HH22 ' A' ' 61' ' ' ARG . 59.6 p -76.84 -6.96 54.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.58 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.554 ' CB ' HD22 ' A' ' 38' ' ' ASN . . . -82.69 29.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -69.43 96.74 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.44 5.04 37.33 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.541 HH22 ' HG ' ' A' ' 57' ' ' SER . 38.9 mtt85 -105.97 165.14 11.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.61 144.86 26.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.716 HG23 ' O ' ' A' ' 37' ' ' ARG . 2.4 mt -131.56 160.49 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.588 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.563 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 8.9 mt-10 -123.85 101.6 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.507 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.436 ' C ' ' OE2' ' A' ' 66' ' ' GLU . 48.1 t -81.35 128.52 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.467 ' OE2' ' C ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -120.3 139.47 52.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.06 131.75 28.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.436 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -122.66 143.95 49.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.66 -175.05 19.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.415 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 55.4 Cg_endo -74.13 -37.27 2.77 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.849 2.366 . . . . 0.0 112.058 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.858 ' CD ' ' HB2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -95.83 -0.38 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.736 ' CD ' ' H ' ' A' ' 73' ' ' GLU . 6.0 pm0 -32.16 -42.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.65 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.736 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 29.9 tt0 -58.06 -53.58 56.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.805 ' HB2' ' HG2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -56.58 -50.67 71.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.625 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.846 ' HB3' HE22 ' A' ' 71' ' ' GLN . . . -55.61 -48.73 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.71 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.575 ' O ' ' CG2' ' A' ' 80' ' ' ILE . 1.8 tt -66.65 -43.24 85.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.61 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.894 ' O ' HG13 ' A' ' 80' ' ' ILE . . . -62.05 -42.67 99.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.752 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.99 97.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.705 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.43 -42.4 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.894 HG13 ' O ' ' A' ' 77' ' ' ALA . 1.3 pp -65.62 -39.05 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.671 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.469 ' N ' HG13 ' A' ' 80' ' ' ILE . . . -66.45 -35.83 81.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.677 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -73.39 -37.65 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.581 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -73.73 -23.4 59.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.544 ' O ' ' OD1' ' A' ' 84' ' ' ASN . 29.3 t-20 -88.62 -6.7 57.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.1 p . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.627 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 97.5 mt -121.33 137.74 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -88.63 111.65 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -112.54 155.45 24.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' B' ' 370' ' ' MET . 38.6 mt -74.49 115.44 43.57 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . 0.533 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 43.4 Cg_endo -71.4 111.32 3.07 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.785 2.323 . . . . 0.0 112.134 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -98.08 -41.3 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -129.2 100.96 19.71 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.548 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -47.4 143.45 11.35 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.829 2.353 . . . . 0.0 112.087 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 141.79 157.82 7.31 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.62 140.73 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.37 . . . . 0.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -152.5 147.19 25.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . 0.651 ' N ' ' CD1' ' B' ' 182' ' ' ILE . 0.2 OUTLIER -128.77 139.06 52.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 174.38 176.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.52 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . 0.431 ' OE1' ' CG ' ' B' ' 381' ' ' ARG . 2.1 mt-10 -77.32 159.36 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.423 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.695 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -92.62 142.52 16.04 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -157.57 121.5 4.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.613 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.798 0.332 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.46 130.3 23.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.9 OUTLIER -150.19 49.08 0.59 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . 0.615 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 56.9 Cg_exo -46.92 -33.47 14.49 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.824 2.349 . . . . 0.0 112.093 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -79.19 -61.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' B' ' 211' ' ' ARG . 47.6 mt -63.94 -42.13 97.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.691 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 1.5 tp10 -63.29 -61.17 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 33.7 ttp180 -54.23 -46.05 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -66.17 -36.48 83.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.524 ' NH1' ' OE1' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -55.47 -45.1 76.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 3.8 tp -66.35 -51.85 52.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 39.9 p -52.08 -47.85 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.549 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.77 85.31 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.95 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.712 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.5 OUTLIER -58.2 -45.34 87.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.691 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.42 -21.65 64.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.626 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' B' ' 222' ' ' GLU . 1.0 OUTLIER -94.82 -31.89 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.58 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.34 -46.93 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -59.31 -51.37 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -70.07 -28.5 65.48 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.613 ' OE2' ' CD2' ' B' ' 226' ' ' TYR . 1.5 tm-20 -70.33 -43.33 70.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.48 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . 0.627 ' CZ ' ' NH1' ' B' ' 304' ' ' ARG . 0.6 OUTLIER -70.73 -35.93 72.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.406 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' B' ' 228' ' ' LYS . 67.8 mtp180 -63.75 -48.95 74.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.572 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -73.33 -39.38 65.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.466 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.613 ' CD2' ' OE2' ' B' ' 222' ' ' GLU . 4.6 m-30 -52.27 -59.46 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 227' ' ' SER . . . . . 0.722 ' OG ' ' HB2' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -67.15 -49.6 64.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' B' ' 224' ' ' ARG . 25.5 tptt -37.79 -54.07 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -63.04 -46.21 88.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.611 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . 0.647 ' O ' ' N ' ' B' ' 234' ' ' ALA . 4.3 m-85 -52.35 -51.91 56.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -54.45 -41.41 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.453 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -53.62 -17.08 1.88 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.528 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -129.04 -23.19 1.17 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.647 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -95.19 -157.32 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.605 ' HG3' ' H ' ' B' ' 237' ' ' GLU . 4.5 pt20 -99.13 177.34 5.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.515 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -61.74 -39.08 90.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.605 ' H ' ' HG3' ' B' ' 235' ' ' GLN . 55.8 tt0 -42.16 -46.49 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.526 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.403 ' H ' ' HG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -58.83 -61.99 2.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -53.95 -40.39 66.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . 0.441 ' HB3' HH11 ' A' ' 18' ' ' ARG . . . -59.49 -37.81 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . 0.496 HG21 ' N ' ' B' ' 242' ' ' PHE . 1.2 mp -60.28 -56.47 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.65 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.735 ' C ' ' CD1' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -53.61 -55.81 22.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.458 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.735 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 65.3 t0 -38.55 -43.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . 0.593 HD12 ' O ' ' B' ' 244' ' ' LEU . 12.8 tp -74.81 -38.75 62.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.589 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' B' ' 242' ' ' PHE . 10.7 m-30 -62.5 -53.1 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.527 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 246' ' ' SER . . . . . 0.565 ' O ' ' OG ' ' B' ' 250' ' ' SER . 31.1 t -49.61 -46.46 49.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.635 ' O ' ' HB2' ' B' ' 251' ' ' ASP . 1.6 t60 -72.37 -27.56 62.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.581 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.638 ' C ' ' CD1' ' B' ' 248' ' ' LEU . 2.0 tm? -69.88 -50.72 39.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.643 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . 0.529 ' N ' HD13 ' B' ' 248' ' ' LEU . 3.1 tp -78.93 -42.94 25.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.505 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 250' ' ' SER . . . . . 0.565 ' OG ' ' O ' ' B' ' 246' ' ' SER . 51.8 p -70.37 -13.43 62.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.614 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.635 ' HB2' ' O ' ' B' ' 247' ' ' HIS . 66.3 t0 -47.88 116.63 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 80.3 p -54.89 -15.77 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.534 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -49.33 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.645 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.28 -46.69 85.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.68 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.411 HH21 ' HD3' ' B' ' 255' ' ' ARG . 11.0 ttp180 -53.14 -55.59 22.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.696 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -38.32 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.606 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.93 -43.29 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.16 -51.45 68.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -60.93 -34.58 74.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.758 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.18 93.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.26 -35.47 81.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.723 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.0 -34.14 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -18.85 28.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.669 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -92.56 -23.06 19.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.576 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.42 13.96 3.73 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 47.5 t -87.86 154.08 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.688 ' O ' ' HB3' ' B' ' 271' ' ' ALA . 0.0 OUTLIER -100.13 154.02 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.549 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . 0.444 ' H ' ' CD ' ' B' ' 208' ' ' GLU . . . -59.17 -46.57 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.593 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.524 ' OE1' ' NH1' ' B' ' 211' ' ' ARG . 0.6 OUTLIER -43.15 -54.28 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.515 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -84.92 -34.66 22.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.48 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' B' ' 267' ' ' VAL . . . -52.55 -51.33 60.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.515 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' B' ' 276' ' ' ILE . 34.4 m -60.91 -33.31 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -74.28 -49.32 23.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.532 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 20.9 p -59.14 -54.41 47.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.643 HG21 ' H ' ' B' ' 276' ' ' ILE . 33.8 m -56.89 -51.78 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.643 ' H ' HG21 ' B' ' 275' ' ' VAL . 10.3 mm -59.27 -44.33 91.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.44 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 88.1 mt-10 -63.77 -42.69 97.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -38.79 91.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -74.2 -35.51 63.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.5 68.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 3.0 mp0 -68.89 -37.69 79.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.71 -40.65 95.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.565 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' B' ' 298' ' ' LEU . 7.9 m-85 -64.06 -44.23 93.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.511 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.25 77.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.614 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -43.89 -32.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.6 ' CD1' ' OD2' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -63.09 155.16 28.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.479 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 287' ' ' SER . . . . . 0.491 ' H ' HD11 ' B' ' 286' ' ' LEU . 37.2 m -89.87 -36.08 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.713 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.661 ' O ' ' HB3' ' B' ' 292' ' ' LYS . 0.6 OUTLIER -50.88 93.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . 0.517 ' ND2' ' H ' ' B' ' 290' ' ' TYR . 0.1 OUTLIER -60.59 -39.31 87.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . 0.517 ' H ' ' ND2' ' B' ' 289' ' ' ASN . 15.2 t80 -58.27 -22.24 51.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' B' ' 294' ' ' ARG . 0.3 OUTLIER -117.26 -55.97 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.661 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -35.09 -36.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.411 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' B' ' 292' ' ' LYS . 10.9 tm-20 -51.92 -33.46 37.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' B' ' 297' ' ' ASP . 0.9 OUTLIER -38.27 -35.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' B' ' 294' ' ' ARG . . . -35.83 -51.32 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.412 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -55.21 -40.1 73.84 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' B' ' 294' ' ' ARG . 96.5 m-20 -63.39 -47.75 80.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.831 0.348 . . . . 0.0 110.448 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -54.87 -51.06 67.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.355 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -59.96 -41.26 91.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.376 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . 0.474 ' CB ' HG21 ' B' ' 333' ' ' THR . . . -62.53 -39.74 94.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.356 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.87 -42.43 99.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.289 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -54.34 -48.73 63.04 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . 0.561 ' HG2' ' N ' ' B' ' 304' ' ' ARG . 0.5 OUTLIER -55.58 -42.09 74.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.788 0.327 . . . . 0.0 110.358 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.627 ' NH1' ' CZ ' ' B' ' 223' ' ' PHE . 6.4 mmm-85 -65.47 -45.09 85.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.382 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -36.14 82.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.513 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 17.7 tp -67.31 -35.91 80.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . 0.51 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.1 m-85 -64.34 -43.23 95.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 79.2 m-70 -71.93 -29.12 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.11 -20.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . 0.51 ' OD1' ' O ' ' B' ' 307' ' ' PHE . 0.5 OUTLIER -108.55 115.38 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.744 0.307 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.671 ' CE2' ' NE ' ' B' ' 342' ' ' ARG . 1.8 p90 -154.98 166.24 34.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.61 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 20.8 mt -119.64 138.32 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.44 122.1 28.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 42.1 t -123.14 90.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.504 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -125.18 147.63 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 18.5 p-10 -65.36 -30.07 70.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -139.89 125.8 19.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.8 tp -73.5 121.78 21.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.545 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 74.0 m -120.97 119.56 32.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.659 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.56 -46.59 86.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 333' ' ' THR . . . . . 0.474 HG21 ' CB ' ' B' ' 300' ' ' ALA . 3.8 t -56.84 -36.92 70.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.612 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 59.8 m -68.26 -45.61 72.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.692 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.3 OUTLIER -51.86 -36.48 48.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.402 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -63.05 18.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.692 ' H ' ' C ' ' B' ' 335' ' ' LEU . 67.5 mt-10 -110.77 -48.09 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 20.1 mt -100.25 120.59 56.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . 0.506 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 52.3 Cg_exo -47.48 138.83 18.19 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.908 2.405 . . . . 0.0 112.203 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -10.38 50.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.548 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.734 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 12.1 p30 -66.61 -40.04 88.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.435 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.734 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 11.4 ptm180 -86.67 -16.11 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.574 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 37.8 tp -73.68 104.38 4.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.22 27.99 3.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.505 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 151.87 154.95 6.8 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.409 ' CG2' ' N ' ' B' ' 347' ' ' VAL . 1.5 p -155.33 153.13 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.765 0.316 . . . . 0.0 110.54 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . 0.409 ' N ' ' CG2' ' B' ' 346' ' ' VAL . 12.9 m -148.32 140.27 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.614 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 35.0 m -132.07 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' B' ' 372' ' ' ALA . 6.5 ptm180 -117.99 1.56 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.892 ' O ' ' N ' ' B' ' 352' ' ' ALA . 1.3 t70 -143.38 -48.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -48.56 60.8 0.0 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . 0.892 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -42.08 157.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.546 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . 0.406 ' HB1' HH12 ' B' ' 362' ' ' ARG . . . -70.58 31.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.452 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . 0.592 ' H ' ' C ' ' B' ' 352' ' ' ALA . 16.8 m120 -111.03 -13.42 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 96.5 p -80.1 152.32 29.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.504 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -61.21 -36.16 79.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.44 -43.19 99.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.87 91.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.1 mt -67.54 -36.94 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -62.83 -50.6 70.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.457 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -44.0 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.406 HH12 ' HB1' ' B' ' 353' ' ' ALA . 6.9 ttm-85 -58.09 -45.53 87.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.79 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.75 -29.41 66.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.478 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 95.09 28.8 9.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . 0.484 HD11 HG22 ' B' ' 366' ' ' ILE . 41.5 mm -106.7 127.37 28.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.892 0.377 . . . . 0.0 110.644 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.26 125.29 10.26 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.934 2.423 . . . . 0.0 112.166 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 8.1 m -141.44 134.41 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.62 152.57 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.469 ' O ' ' N ' ' B' ' 174' ' ' LEU . 1.7 tmm? -135.0 153.25 52.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 96.31 -7.26 66.38 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' B' ' 349' ' ' ARG . . . -49.28 109.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.303 . . . . 0.0 110.57 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 60.1 p30 -104.37 25.85 9.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 10.5 tp -101.39 124.8 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.638 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -69.29 124.64 90.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . 0.47 ' O ' ' ND1' ' B' ' 380' ' ' HIS . 51.4 Cg_endo -73.16 -7.99 21.38 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.842 2.361 . . . . 0.0 112.09 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 40.3 t -64.28 -35.92 82.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.511 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 58.2 t -82.07 -41.16 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.445 ' CA ' ' HB2' ' B' ' 382' ' ' ARG . 10.2 mp -78.85 -74.29 0.29 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.609 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.695 ' O ' ' O ' ' B' ' 185' ' ' GLY . 1.8 m-70 59.77 -104.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.599 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.431 ' CG ' ' OE1' ' B' ' 184' ' ' GLU . 32.4 ttt180 -78.35 -0.37 28.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.49 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . 0.445 ' HB2' ' CA ' ' B' ' 379' ' ' LEU . 1.7 mtt-85 -64.61 163.15 14.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.491 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 383' ' ' THR . . . . . 0.509 ' H ' ' HG1' ' B' ' 383' ' ' THR . 0.0 OUTLIER -72.28 127.93 34.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.542 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.13 109.06 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.439 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.97 110.95 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 1.5 p -97.4 146.16 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.395 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.69 ' O ' ' N ' ' B' ' 391' ' ' GLY . 66.4 t0 -135.1 82.07 1.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . 0.533 ' O ' ' HB3' ' B' ' 175' ' ' PRO . . . -47.74 -48.0 23.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' B' ' 388' ' ' GLY . 27.2 t80 -39.52 -52.55 2.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.26 8.25 19.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.521 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 41.79 55.06 4.11 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.66 152.76 36.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.476 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 90.3 mt -121.48 125.77 47.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 16.1 mt -112.49 150.69 30.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 1.026 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 12.0 t -118.76 102.87 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.614 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.68 ' C ' ' O ' ' B' ' 395' ' ' VAL . 35.8 p-10 5.29 54.18 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.537 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 1.026 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 50.4 Cg_exo . . . . . 0 C--N 1.305 -1.748 0 C-N-CA 122.801 2.334 . . . . 0.0 112.072 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.59 ' CG2' ' OG1' ' A' ' 68' ' ' THR . 0.1 OUTLIER -82.43 158.04 23.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -132.61 118.86 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 171.17 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -160.02 133.72 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.1 p -79.63 129.12 34.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.1 125.08 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 8' ' ' GLU . 1.4 pm0 -81.88 125.44 30.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.66 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.811 HG22 ' H ' ' A' ' 60' ' ' GLY . 17.8 tt -88.53 105.56 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.611 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.1 p -82.67 57.01 3.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.448 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.4 m120 63.57 23.19 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.572 ' HZ3' ' HG ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -164.4 103.3 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.653 ' CD2' ' H ' ' A' ' 13' ' ' LEU . 1.9 pt? -66.85 -0.98 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.637 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 146.9 -76.61 0.26 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.422 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 30.8 mmm -134.03 -163.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.497 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.595 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -55.47 -23.95 28.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.595 ' CB ' ' O ' ' A' ' 16' ' ' HIS . . . 154.57 0.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.533 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.595 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 21.2 mtt-85 -54.47 -45.62 99.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 50.8 Cg_exo -48.41 -49.75 13.76 Favored 'Trans proline' 0 C--N 1.303 -1.831 0 C-N-CA 122.916 2.411 . . . . 0.0 112.102 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.57 89.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.702 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -68.5 -42.56 78.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.702 ' N ' ' HG3' ' A' ' 21' ' ' MET . 7.0 tttp -63.44 -36.69 84.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -49.37 -44.43 44.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 13.1 m-85 -58.24 -37.66 75.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -75.2 -34.62 61.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.606 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.889 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 4.0 mm? -68.32 -39.97 81.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.826 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 64.4 ttp -59.2 -28.34 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -86.53 -28.91 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.637 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.43 -25.62 38.84 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.8 p90 -119.04 138.02 53.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.588 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 3.4 m-20 -80.03 109.64 14.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.609 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.759 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 157.75 149.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.569 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 34' ' ' VAL . 9.4 tp10 -99.58 126.52 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' N ' ' OE2' ' A' ' 33' ' ' GLU . 40.8 t -104.0 134.94 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.497 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -136.15 136.53 40.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -107.89 149.61 28.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -147.31 134.67 20.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -91.03 155.91 18.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.76 -27.04 16.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 85.7 tt0 -68.5 -9.79 51.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.582 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.07 12.26 60.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.3 m -85.45 116.69 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.659 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 32.3 mp0 -77.59 103.63 7.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.4 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.67 65.24 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.582 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -40.78 121.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.519 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.572 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.66 -9.19 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -100.02 26.77 6.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.641 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 124.93 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.459 ' H ' HG21 ' A' ' 49' ' ' VAL . 2.3 t -64.78 -35.43 75.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.782 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -61.58 -35.63 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.615 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' N ' HD12 ' A' ' 50' ' ' ILE . . . -67.02 -41.38 86.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.488 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 57.4 tp -59.39 -38.19 79.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.576 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.782 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -65.94 -34.85 79.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.477 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 2.1 tmt? -69.93 -35.54 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.63 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.9 tp -64.16 -35.54 81.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 52' ' ' LEU . 5.2 m-20 -52.93 -35.24 58.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.2 m -76.22 -6.28 50.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.688 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -83.28 28.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -68.57 97.85 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.811 ' H ' HG22 ' A' ' 9' ' ' ILE . . . 105.02 5.08 41.38 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.569 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -105.91 164.18 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.516 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -97.95 142.48 29.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.644 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -130.12 162.12 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.439 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.644 ' N ' HG13 ' A' ' 63' ' ' ILE . 99.1 mt-10 -123.4 102.31 7.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.546 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.17 127.38 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.557 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -120.1 139.78 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.616 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.99 131.83 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.59 ' OG1' ' CG2' ' A' ' 2' ' ' THR . 0.3 OUTLIER -124.34 128.7 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.555 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 141.83 161.49 8.77 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.0 -45.64 20.61 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.798 2.332 . . . . 0.0 112.117 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' GLU . 28.9 mm-40 -92.57 5.74 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.514 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 17.0 pt-20 -36.98 -37.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -64.5 -48.67 74.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.496 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -57.54 -52.08 66.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.83 -50.22 69.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.599 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.959 ' O ' HG13 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -64.14 -43.95 93.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.911 ' O ' HG13 ' A' ' 80' ' ' ILE . . . -62.58 -41.87 99.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.52 98.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.959 HG13 ' O ' ' A' ' 76' ' ' LEU . 3.4 p -65.99 -44.29 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.572 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.911 HG13 ' O ' ' A' ' 77' ' ' ALA . 1.6 pp -63.33 -41.55 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.91 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -73.6 -36.51 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.603 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.4 m-85 -69.37 -33.32 72.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.55 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.464 ' OD1' ' O ' ' A' ' 80' ' ' ILE . 18.4 m120 -82.18 -5.7 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.572 ' HG ' ' HZ3' ' A' ' 12' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.53 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 393' ' ' LEU . 5.9 tpm_? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . 0.43 HD12 HG22 ' B' ' 171' ' ' ILE . 96.4 mt -122.89 130.35 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.601 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -76.09 136.81 39.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.476 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' B' ' 370' ' ' MET . . . -141.33 156.9 45.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.697 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.23 114.12 28.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.81 107.35 2.32 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -85.17 -39.67 17.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.478 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . 0.513 ' HB1' ' H ' ' B' ' 368' ' ' THR . . . -139.48 133.97 16.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.05 141.91 37.34 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.779 2.32 . . . . 0.0 112.259 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 139.4 160.74 8.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.29 137.46 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.513 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -145.23 146.81 31.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.53 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 26.7 pt -132.88 134.07 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.572 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 177.48 172.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . 0.76 ' O ' ' CG2' ' B' ' 324' ' ' ILE . 2.5 mp0 -72.73 162.48 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.588 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -93.01 134.45 12.18 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -120.09 102.55 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.544 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' B' ' 187' ' ' GLN . 2.5 pm0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.866 0.365 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.631 ' CD2' ' N ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -100.29 153.36 19.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.924 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.1 OUTLIER -155.64 104.25 2.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -71.53 -17.11 30.37 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.869 2.379 . . . . 0.0 112.036 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -100.5 -49.1 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . 0.482 ' O ' ' CG ' ' B' ' 211' ' ' ARG . 1.0 OUTLIER -74.6 -31.3 61.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.455 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.924 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 65.3 mm-40 -75.86 -62.27 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . 0.48 ' CG ' ' CD1' ' B' ' 259' ' ' PHE . 0.0 OUTLIER -49.75 -55.71 12.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.449 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' B' ' 206' ' ' ALA . 70.4 mt-10 -57.55 -43.74 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.373 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.581 ' NH1' ' OE2' ' B' ' 269' ' ' GLU . 10.6 mtp180 -52.38 -40.13 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . 0.512 HD22 ' CB ' ' B' ' 258' ' ' LEU . 1.1 mp -63.7 -48.31 77.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 62.1 m -56.41 -47.43 79.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.314 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.33 -38.69 96.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.81 -43.94 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.461 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.64 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.9 tt -60.32 -46.9 88.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.509 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.45 -32.5 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' B' ' 222' ' ' GLU . 19.0 tp10 -79.67 -31.47 41.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . 0.476 ' HB1' ' ND1' ' B' ' 308' ' ' HIS . . . -91.61 -45.88 8.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.64 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.17 -51.01 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.564 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -19.38 63.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' B' ' 218' ' ' GLU . 0.6 OUTLIER -66.6 -52.03 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.434 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . 0.81 ' CD1' ' N ' ' B' ' 224' ' ' ARG . 1.6 p90 -68.0 -40.0 83.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . 0.81 ' N ' ' CD1' ' B' ' 223' ' ' PHE . 10.4 ttp-105 -52.54 -50.07 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -74.41 -32.02 62.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.713 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.4 OUTLIER -62.57 -62.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.508 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 227' ' ' SER . . . . . 0.684 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 90.1 p -55.54 -52.59 63.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.584 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . 0.531 ' HZ2' ' HE ' ' B' ' 224' ' ' ARG . 84.4 mttt -43.39 -37.11 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . 0.416 ' NH2' ' HB3' ' B' ' 229' ' ' ARG . 0.6 OUTLIER -68.93 -38.55 79.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 227' ' ' SER . 7.3 m-85 -66.51 -43.79 84.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.589 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' B' ' 233' ' ' GLY . . . -53.32 -37.48 62.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.557 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.35 -9.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.508 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . 0.975 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -165.9 -97.37 0.11 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.975 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . 8.15 -145.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 110.591 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.498 ' O ' ' OG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -107.4 151.61 25.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -62.24 -27.83 69.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -57.91 -45.36 86.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 38.6 p -52.89 -51.46 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -54.51 -41.07 69.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.69 -41.17 85.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.507 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 41.1 mm -61.63 -47.45 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.613 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.783 ' C ' ' CD1' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -56.9 -53.04 62.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.605 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.616 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 2.4 t0 -45.73 -44.51 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' B' ' 248' ' ' LEU . 0.4 OUTLIER -75.96 -33.42 59.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.638 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.518 ' OH ' HD12 ' B' ' 301' ' ' LEU . 17.2 t80 -60.37 -41.46 93.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 246' ' ' SER . . . . . 0.521 ' O ' ' OG ' ' B' ' 250' ' ' SER . 3.1 m -57.15 -41.34 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.772 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 4.9 m-70 -61.56 -30.89 70.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.537 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.615 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 5.8 mt -74.79 -55.18 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.527 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 2.9 mt -69.82 -42.97 72.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 250' ' ' SER . . . . . 0.521 ' OG ' ' O ' ' B' ' 246' ' ' SER . 51.7 p -71.92 -18.02 62.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.913 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -55.85 108.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 1.6 m -57.78 -1.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.763 ' O ' ' HG3' ' B' ' 256' ' ' ARG . 0.0 OUTLIER -75.17 -39.66 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . 0.612 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 1.3 tp -67.73 -46.02 73.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.639 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -57.48 -48.22 79.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.677 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . 0.763 ' HG3' ' O ' ' B' ' 253' ' ' ARG . 5.4 ppt_? -66.82 -39.35 87.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' B' ' 256' ' ' ARG . 19.8 mm-40 -59.79 -51.78 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.586 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . 0.512 ' CB ' HD22 ' B' ' 212' ' ' LEU . 4.8 mt -60.84 -47.63 85.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . 0.48 ' CD1' ' CG ' ' B' ' 209' ' ' ARG . 51.6 t80 -59.09 -36.04 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.11 84.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.649 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.54 -38.92 91.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.544 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.77 -42.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -13.44 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.552 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -24.17 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 122.17 26.44 1.85 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 266' ' ' SER . . . . . 0.41 ' HG ' ' H ' ' B' ' 267' ' ' VAL . 21.3 t -103.98 159.94 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.41 ' H ' ' HG ' ' B' ' 266' ' ' SER . 2.2 t -98.7 149.17 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.594 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -54.4 -45.53 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.581 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.581 ' OE2' ' NH1' ' B' ' 211' ' ' ARG . 19.4 mp0 -46.39 -43.9 16.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . 0.627 ' O ' ' HG3' ' B' ' 273' ' ' LYS . 2.8 m95 -86.19 -28.19 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . . . . . . . . . . . -65.64 -46.91 77.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.495 ' O ' ' CG1' ' B' ' 276' ' ' ILE . 30.2 m -59.44 -42.64 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' B' ' 270' ' ' TRP . 0.0 OUTLIER -79.01 -44.18 22.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.595 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 274' ' ' THR . . . . . 0.608 ' H ' ' HG3' ' B' ' 273' ' ' LYS . 76.4 m -59.77 -56.49 21.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.6 -49.06 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' B' ' 272' ' ' VAL . 7.3 mm -58.15 -42.74 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.508 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.429 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 35.6 mm-40 -63.66 -36.69 84.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . 0.562 ' HZ1' ' CB ' ' B' ' 278' ' ' LYS . 0.0 OUTLIER -64.31 -39.82 94.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . 0.673 ' CD2' ' NE2' ' B' ' 282' ' ' GLN . 9.0 m-85 -79.39 -26.53 41.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.93 80.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.57 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 3.0 mp0 -77.68 -43.17 32.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . 0.673 ' NE2' ' CD2' ' B' ' 279' ' ' PHE . 3.9 pt20 -59.26 -29.86 67.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' B' ' 294' ' ' ARG . 0.2 OUTLIER -81.05 -34.1 33.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.587 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . 0.516 ' O ' ' NZ ' ' B' ' 292' ' ' LYS . . . -63.05 -37.34 86.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.446 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -52.0 -26.68 11.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.742 ' CD2' ' N ' ' B' ' 288' ' ' ASP . 2.8 tt -47.82 132.82 14.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 287' ' ' SER . . . . . 0.623 ' N ' HD22 ' B' ' 286' ' ' LEU . 96.8 p -82.24 -46.15 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.534 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.742 ' N ' ' CD2' ' B' ' 286' ' ' LEU . 0.0 OUTLIER -65.39 131.77 47.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.525 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -20.41 38.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . 0.495 ' CB ' ' OD2' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -59.54 -34.1 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.506 ' HB3' ' CD1' ' B' ' 286' ' ' LEU . 0.6 OUTLIER -109.34 -37.59 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.612 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.579 ' HB2' ' O ' ' B' ' 288' ' ' ASP . 13.3 tttp -44.53 -42.9 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -29.03 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.45 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.459 ' HB3' ' CE2' ' B' ' 283' ' ' PHE . 2.2 ttm-85 -46.1 -33.98 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -44.57 -48.91 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.73 -42.44 28.44 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -66.63 -40.05 88.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.82 0.343 . . . . 0.0 110.442 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' B' ' 301' ' ' LEU . 0.1 OUTLIER -61.2 -56.08 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.462 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 49.8 ttp85 -53.63 -42.87 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.299 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -65.3 -36.92 85.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . 0.518 HD12 ' OH ' ' B' ' 245' ' ' TYR . 14.5 tp -56.95 -44.06 82.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.393 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.6 -40.53 98.75 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -41.47 98.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.667 ' O ' ' ND1' ' B' ' 308' ' ' HIS . 1.6 mtp180 -67.18 -40.74 86.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.342 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -35.11 70.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.299 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.0 tp -66.59 -42.33 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.358 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -66.36 -40.83 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . 0.667 ' ND1' ' O ' ' B' ' 304' ' ' ARG . 34.1 m170 -67.45 -25.56 65.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -5.5 42.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -133.71 83.07 2.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.548 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.664 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 38.0 ttt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.83 0.348 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.719 ' CE2' ' CB ' ' B' ' 184' ' ' GLU . 0.6 OUTLIER -179.1 160.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.561 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . 0.76 ' CG2' ' O ' ' B' ' 184' ' ' GLU . 1.3 tt -111.52 147.01 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 22.9 tp -84.44 133.74 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.56 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 2.1 t -134.24 92.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -122.87 154.49 38.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.613 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 27.4 p-10 -61.93 -25.31 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.551 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.491 ' OE2' ' OG ' ' B' ' 331' ' ' SER . 2.8 pp20? -153.27 124.86 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.558 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.11 121.34 11.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 331' ' ' SER . . . . . 0.491 ' OG ' ' OE2' ' B' ' 329' ' ' GLU . 2.5 m -120.28 128.58 53.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.7 82.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 10.1 p -62.77 -37.2 85.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.503 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 98.4 m -59.95 -51.34 70.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.513 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' B' ' 337' ' ' GLU . 3.0 tp -61.52 -30.84 70.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.548 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . 0.713 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -70.21 7.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.524 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' B' ' 335' ' ' LEU . 3.5 mm-40 -105.67 -30.5 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.45 121.66 33.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.36 149.43 4.21 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.848 2.366 . . . . 0.0 112.178 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -65.1 -21.5 66.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.541 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.1 -42.76 99.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.633 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -76.7 -23.38 53.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 25.1 tp -73.53 113.69 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.541 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 39.5 t -120.43 -0.65 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -178.52 166.25 36.0 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -146.8 142.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.339 . . . . 0.0 110.554 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 7.0 t -153.63 131.6 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 1.4 m -133.32 158.31 42.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.601 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 -89.99 -36.52 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' B' ' 351' ' ' GLY . 61.9 t0 -62.43 137.1 58.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.651 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . 0.413 ' N ' ' OD1' ' B' ' 350' ' ' ASP . . . -89.23 50.32 3.61 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -109.5 110.59 21.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.718 0.294 . . . . 0.0 110.589 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -109.51 3.06 20.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -99.82 3.63 44.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.94 147.48 46.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -53.43 -38.85 63.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.548 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.22 86.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.02 -41.47 78.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.06 -26.69 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 2.7 ttm -67.12 -50.91 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . 0.418 HG23 ' N ' ' B' ' 362' ' ' ARG . 28.2 m -63.39 -42.37 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.418 ' N ' HG23 ' B' ' 361' ' ' VAL . 4.9 ttm-85 -61.27 -46.24 91.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.68 66.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.541 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.71 -28.24 67.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.53 17.44 39.1 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . 0.751 ' CG2' ' HD2' ' B' ' 367' ' ' PRO . 68.3 mt -98.89 145.45 29.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.943 0.401 . . . . 0.0 110.518 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . 0.751 ' HD2' ' CG2' ' B' ' 366' ' ' ILE . 49.5 Cg_endo -72.84 128.16 12.99 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.892 2.395 . . . . 0.0 112.026 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 368' ' ' THR . . . . . 0.513 ' H ' ' HB1' ' B' ' 177' ' ' ALA . 99.6 m -140.0 151.26 45.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.503 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.08 151.1 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.437 ' O ' ' HB3' ' B' ' 173' ' ' ALA . 59.6 mtt -133.82 164.33 27.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 91.55 2.61 69.9 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -57.04 108.86 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.607 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.15 60.34 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 17.0 tt -148.59 138.07 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.579 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.57 ' N ' ' OE1' ' B' ' 375' ' ' GLN . 0.7 OUTLIER -66.11 135.12 95.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.576 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.93 -24.49 17.53 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.768 2.312 . . . . 0.0 112.07 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 59.7 p -66.53 -21.71 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 4.9 t -100.83 16.59 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.554 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.567 ' HA ' ' HB2' ' B' ' 382' ' ' ARG . 86.5 mt -121.64 2.25 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.682 ' O ' ' O ' ' B' ' 185' ' ' GLY . 48.2 t60 -36.44 -93.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.583 ' H ' ' HD3' ' B' ' 381' ' ' ARG . 0.0 OUTLIER -78.96 -13.83 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . 0.567 ' HB2' ' HA ' ' B' ' 379' ' ' LEU . 0.4 OUTLIER -52.86 140.91 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.608 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 39.3 m -69.96 130.21 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.588 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.3 122.9 48.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . 0.534 ' CD1' ' HD2' ' B' ' 397' ' ' PRO . 18.5 mt -124.55 105.11 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 6.1 m -108.85 155.91 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.539 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.4 t0 -145.29 93.71 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -58.19 -37.05 85.3 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . 0.435 ' HB2' ' OD1' ' B' ' 387' ' ' ASP . 12.2 m-85 -55.6 -48.15 75.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.512 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -95.01 -14.74 24.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.594 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 58.22 59.34 10.98 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.52 164.81 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 0.0 110.713 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 170' ' ' ARG . 21.2 tp -124.09 126.19 45.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.607 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.702 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 4.7 mt -116.16 159.64 21.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.643 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.675 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 28.9 m -132.43 117.59 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.575 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.569 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.0 OUTLIER 25.82 51.96 0.27 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.547 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.702 ' HG3' ' HB3' ' B' ' 394' ' ' LEU . 48.8 Cg_endo . . . . . 0 C--N 1.305 -1.747 0 C-N-CA 122.865 2.377 . . . . 0.0 112.138 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.7 p -83.15 159.32 22.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.601 ' O ' HD11 ' A' ' 76' ' ' LEU . 85.4 t -133.55 118.06 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.534 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -124.99 172.96 8.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.718 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -160.57 134.74 7.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.0 t -81.64 126.86 32.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.652 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.9 m -128.24 125.7 64.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -82.31 126.5 32.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.59 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.776 HG21 ' H ' ' A' ' 60' ' ' GLY . 19.9 tt -89.28 104.61 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.767 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.2 p -81.75 53.9 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.527 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.24 23.93 12.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -163.65 99.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.98 ' HA ' ' CZ ' ' A' ' 83' ' ' PHE . 2.3 tt -62.38 -7.65 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.75 -42.47 1.02 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.8 tpp -170.55 -172.2 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.727 0.299 . . . . 0.0 110.572 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.417 ' ND1' ' OH ' ' B' ' 290' ' ' TYR . 1.1 t60 -50.81 -48.81 59.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.76 0.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.489 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.509 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 1.2 mpt_? -50.72 -56.88 15.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 18' ' ' ARG . 53.7 Cg_exo -47.15 -53.38 6.43 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.771 2.314 . . . . 0.0 112.165 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.49 96.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.412 ' HE2' ' HA ' ' A' ' 21' ' ' MET . 0.6 OUTLIER -66.36 -42.48 87.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.443 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -62.95 -37.37 86.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD11 ' O ' ' A' ' 19' ' ' PRO . 1.7 mp -49.39 -44.93 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.449 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE2' ' NE2' ' B' ' 247' ' ' HIS . 0.2 OUTLIER -57.01 -40.47 76.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -72.78 -35.19 67.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.49 -44.37 82.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.604 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -55.12 -31.67 61.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.428 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.604 ' N ' ' HG3' ' A' ' 27' ' ' MET . 24.9 mt-30 -81.97 -30.31 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.39 -30.24 31.01 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.91 152.76 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 110.554 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.77 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -95.49 94.84 8.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.602 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.534 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 167.84 156.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.601 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -101.52 129.32 47.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.409 ' O ' HD22 ' A' ' 35' ' ' LEU . 79.7 t -106.77 133.86 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.544 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 34' ' ' VAL . 63.4 mt -134.38 139.32 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.534 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.4 mt -109.45 149.48 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.584 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.846 ' O ' HG22 ' A' ' 63' ' ' ILE . 12.0 mtt-85 -145.84 136.79 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.654 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -94.28 154.61 17.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.24 -28.37 11.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.522 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -67.97 -11.31 58.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.69 11.25 59.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -84.02 117.4 23.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.758 0.313 . . . . 0.0 110.591 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.494 ' HG2' HH21 ' A' ' 37' ' ' ARG . 3.6 tm-20 -78.11 103.73 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.76 64.98 6.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 2.8 mt-10 -40.39 121.21 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -10.03 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.75 27.94 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.629 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -145.84 123.5 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.7 ' O ' HD11 ' A' ' 53' ' ' LEU . 4.1 t -63.72 -36.25 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.491 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 tt -61.25 -35.98 69.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.93 86.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.575 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.46 -38.51 77.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.7 HD11 ' O ' ' A' ' 49' ' ' VAL . 9.3 mp -65.04 -35.73 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -36.68 78.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.593 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.16 -35.13 79.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.547 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -53.1 -34.78 58.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.475 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.0 -5.89 50.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.693 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -83.76 29.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.581 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -69.66 97.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.776 ' H ' HG21 ' A' ' 9' ' ' ILE . . . 105.6 6.02 38.66 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.736 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -107.08 163.99 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.729 0.3 . . . . 0.0 110.555 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -95.89 144.85 25.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.67 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.846 HG22 ' O ' ' A' ' 37' ' ' ARG . 2.4 mp -131.73 160.11 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.836 ' N ' HG22 ' A' ' 63' ' ' ILE . 99.9 mt-10 -122.75 100.64 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 35.9 t -81.5 128.13 38.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.489 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.629 ' CD ' HH11 ' A' ' 37' ' ' ARG . 30.5 tt0 -120.93 140.54 51.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.608 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.75 130.68 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 6.0 t -121.27 140.32 52.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.534 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 133.8 -177.66 18.91 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.77 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.5 Cg_endo -71.53 -37.82 5.11 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.812 2.341 . . . . 0.0 112.134 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 72' ' ' GLU . 6.1 mm100 -97.68 4.16 50.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 71' ' ' GLN . 20.6 pt-20 -36.85 -40.34 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.72 -50.47 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.554 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 71' ' ' GLN . 26.3 tp10 -57.78 -51.71 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.552 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.54 -49.62 72.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.601 HD11 ' O ' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -64.79 -44.05 91.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.522 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.2 99.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.43 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.7 98.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.2 t -65.96 -43.34 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.47 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.443 HG22 HD13 ' A' ' 80' ' ' ILE . 36.6 mt -63.97 -42.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.385 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.22 -37.89 87.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.301 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.06 -35.02 66.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.378 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.98 ' CZ ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -71.94 -30.13 65.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.453 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 85' ' ' SER . 98.3 m-20 -85.83 -3.43 58.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.9 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.51 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 5.3 ptm85 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 81.1 mt -98.4 124.07 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -77.05 112.81 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -120.61 157.21 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.585 ' CD2' ' N ' ' B' ' 174' ' ' LEU . 3.2 mm? -67.69 112.76 11.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -73.3 108.09 2.53 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.765 2.31 . . . . 0.0 112.202 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . 0.474 ' O ' ' HD3' ' B' ' 362' ' ' ARG . . . -83.41 -51.26 7.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -125.11 136.63 28.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.454 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.19 144.24 41.45 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.834 2.356 . . . . 0.0 112.129 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 135.32 167.34 11.31 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 33.2 m -128.88 148.99 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.946 0.403 . . . . 0.0 110.493 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -156.58 153.24 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 25.2 pt -130.77 135.05 61.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.565 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 179.71 176.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . 0.561 ' O ' HG12 ' B' ' 324' ' ' ILE . 4.3 pt-20 -82.79 165.79 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.616 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.625 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.3 138.94 14.18 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -146.71 135.42 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.577 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 202' ' ' THR . . . . . 0.563 ' O ' ' OD2' ' B' ' 204' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.791 0.329 . . . . 0.0 110.515 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.752 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 1.2 pp -56.65 129.84 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.984 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 1.1 m-20 -155.84 67.71 4.83 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.423 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 39.0 Cg_endo -70.26 -46.62 0.96 Allowed 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.842 2.361 . . . . 0.0 112.21 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -60.34 -49.25 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 56.2 mt -79.28 -40.15 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.442 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.984 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 5.3 tp10 -67.86 -56.8 7.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . 0.556 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 53.3 ttt85 -45.37 -49.11 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' B' ' 210' ' ' GLU . 0.1 OUTLIER -70.91 -36.46 72.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.373 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.607 HH12 ' CD ' ' B' ' 269' ' ' GLU . 9.8 ttt-85 -57.48 -47.1 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.395 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' B' ' 212' ' ' LEU . 3.5 tm? -67.98 -52.14 39.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.41 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 213' ' ' THR . . . . . 0.445 ' O ' ' OE1' ' B' ' 217' ' ' GLU . 85.8 m -55.68 -51.96 65.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.501 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -57.58 -37.76 84.34 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . 0.413 ' CB ' HD12 ' B' ' 309' ' ' LEU . . . -70.35 -46.09 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 110.422 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.793 ' HG ' ' N ' ' B' ' 217' ' ' GLU . 0.2 OUTLIER -60.49 -48.04 83.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.396 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.793 ' N ' ' HG ' ' B' ' 216' ' ' LEU . 0.4 OUTLIER -60.72 -37.02 80.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.353 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.76 -33.45 72.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.463 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -87.74 -45.7 10.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -55.68 -51.56 66.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.504 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 87.7 m-20 -63.18 -35.54 80.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.455 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' B' ' 226' ' ' TYR . 1.1 tt0 -70.96 -35.89 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.604 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . 0.658 ' CD1' ' NH1' ' B' ' 304' ' ' ARG . 0.7 OUTLIER -76.08 -41.91 49.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.426 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . 0.451 HH21 ' HD2' ' B' ' 224' ' ' ARG . 4.5 ttm105 -52.13 -54.94 24.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.518 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . 0.405 ' NH1' ' HG3' ' B' ' 222' ' ' GLU . 1.6 ptt180 -68.17 -24.29 64.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.519 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' B' ' 222' ' ' GLU . 0.1 OUTLIER -66.61 -55.77 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.446 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 227' ' ' SER . . . . . 0.665 ' OG ' ' HB3' ' B' ' 242' ' ' PHE . 75.0 m -57.08 -50.21 73.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.446 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -51.08 -41.38 59.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -71.81 -34.67 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.437 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -68.86 -42.28 77.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.45 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -58.73 -37.45 76.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.92 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -116.09 20.36 12.89 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -135.85 -136.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.877 0.37 . . . . 0.0 110.587 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.545 ' O ' ' OG1' ' B' ' 238' ' ' THR . 19.1 pm0 -129.22 169.5 14.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -26.19 68.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.94 -41.58 92.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.545 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 1.8 p -63.66 -59.37 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.639 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . 0.447 ' H ' ' HG1' ' B' ' 238' ' ' THR . . . -51.05 -45.55 61.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.91 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 6.8 mm -66.62 -59.76 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.665 ' HB3' ' OG ' ' B' ' 227' ' ' SER . 33.5 m-85 -58.26 -60.43 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' B' ' 242' ' ' PHE . 64.7 t0 -34.35 -41.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.538 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . 0.661 ' CD2' ' C ' ' B' ' 244' ' ' LEU . 1.3 tt -69.94 -40.04 75.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.559 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.61 ' N ' ' O ' ' B' ' 242' ' ' PHE . 0.9 OUTLIER -68.74 -43.29 76.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.469 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 73.1 m -49.47 -45.09 46.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.521 ' NE2' ' CE2' ' A' ' 24' ' ' PHE . 13.0 t60 -70.22 -22.21 62.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' B' ' 245' ' ' TYR . 8.3 tt -69.55 -47.91 62.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.592 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.34 -44.19 84.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 88.1 p -75.2 -12.11 60.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.474 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.515 ' C ' ' H ' ' B' ' 253' ' ' ARG . 61.1 t0 -55.94 121.21 8.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.483 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 62.1 p -58.55 -2.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.715 ' HE ' ' N ' ' B' ' 254' ' ' LEU . 1.5 tmm_? -80.79 -47.23 14.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . 0.715 ' N ' ' HE ' ' B' ' 253' ' ' ARG . 12.0 tp -69.01 -37.29 78.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.423 HH12 ' NH2' ' B' ' 209' ' ' ARG . 3.3 ttp85 -68.07 -44.94 75.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.654 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.44 -47.69 78.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . 0.792 ' OE2' ' CE1' ' B' ' 279' ' ' PHE . 3.4 tt0 -57.01 -52.06 66.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' B' ' 258' ' ' LEU . 3.1 tm? -53.85 -58.25 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -53.87 -33.73 57.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.0 93.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.629 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -43.41 92.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.06 -36.95 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.446 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.09 -12.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.489 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -99.36 -19.82 16.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 123.92 10.12 5.41 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 46.4 m -83.15 154.98 24.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.615 0.245 . . . . 0.0 110.632 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.629 ' O ' ' CB ' ' B' ' 271' ' ' ALA . 3.1 t -97.92 148.14 6.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' B' ' 272' ' ' VAL . . . -54.1 -51.59 63.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.607 ' CD ' HH12 ' B' ' 211' ' ' ARG . 1.9 mm-40 -40.06 -67.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.664 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . 0.689 ' CZ2' ' OG1' ' B' ' 274' ' ' THR . 5.2 t-105 -73.82 -42.94 60.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.629 ' CB ' ' O ' ' B' ' 267' ' ' VAL . . . -54.28 -53.91 47.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.556 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' B' ' 268' ' ' ALA . 53.4 t -56.21 -33.7 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 0.0 OUTLIER -72.84 -30.53 64.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.506 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 274' ' ' THR . . . . . 0.689 ' OG1' ' CZ2' ' B' ' 270' ' ' TRP . 15.0 m -72.57 -57.32 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.656 HG13 ' H ' ' B' ' 276' ' ' ILE . 5.5 p -48.28 -60.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.601 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.656 ' H ' HG13 ' B' ' 275' ' ' VAL . 1.9 pp -53.79 -38.04 34.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' B' ' 281' ' ' GLU . 2.5 mm-40 -71.15 -36.6 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.499 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . 0.439 ' HB3' ' HZ3' ' B' ' 278' ' ' LYS . 3.2 mtmp? -66.34 -38.35 87.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . 0.792 ' CE1' ' OE2' ' B' ' 257' ' ' GLU . 20.7 m-85 -74.17 -27.87 61.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.574 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.76 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.519 ' OE2' ' O ' ' B' ' 277' ' ' GLU . 0.4 OUTLIER -77.93 -39.47 42.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -60.17 -47.36 86.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.446 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.561 ' N ' ' CD1' ' B' ' 283' ' ' PHE . 5.9 m-30 -60.82 -49.12 78.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.627 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -57.87 -49.38 76.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.562 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -29.4 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.621 ' N ' ' CD1' ' B' ' 286' ' ' LEU . 6.1 mp -64.92 165.16 11.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 287' ' ' SER . . . . . 0.428 ' HG ' ' N ' ' B' ' 288' ' ' ASP . 71.8 p -95.8 -37.29 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.584 ' HB3' ' CD2' ' B' ' 291' ' ' LEU . 0.9 OUTLIER -48.28 134.72 14.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.533 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -84.31 -31.25 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.588 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . 0.417 ' OH ' ' ND1' ' A' ' 16' ' ' HIS . 1.0 OUTLIER -49.77 -32.86 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.615 ' HG ' ' H ' ' B' ' 292' ' ' LYS . 3.2 pp -94.37 -47.63 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.519 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.615 ' H ' ' HG ' ' B' ' 291' ' ' LEU . 0.5 OUTLIER -40.72 -41.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -71.17 -40.83 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.446 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.611 HH11 ' CD2' ' B' ' 244' ' ' LEU . 37.9 tpt85 -51.57 -31.05 23.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.508 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -52.62 -44.16 65.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.47 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -45.71 -43.13 11.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.52 -37.73 87.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.401 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 10.8 tp -56.95 -56.88 15.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -55.05 -44.49 74.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.37 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.3 79.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.323 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . 0.708 ' HG ' ' N ' ' B' ' 302' ' ' GLY . 0.2 OUTLIER -58.63 -39.42 80.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.279 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . 0.708 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -61.57 -43.12 99.71 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.81 -37.39 81.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 110.294 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.658 ' NH1' ' CD1' ' B' ' 223' ' ' PHE . 0.9 OUTLIER -72.68 -39.18 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.268 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' B' ' 309' ' ' LEU . 0.7 OUTLIER -68.17 -43.29 78.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.309 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.22 -39.34 94.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.361 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.59 -47.32 81.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.449 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -75.23 -16.75 60.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 0.4 OUTLIER -72.8 -18.21 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 310' ' ' ASP . 1.1 m-20 -103.37 127.36 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' B' ' 310' ' ' ASP . 6.9 m-20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.457 HH21 ' HD2' ' B' ' 322' ' ' ARG . 7.9 mtm105 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.754 0.312 . . . . 0.0 110.659 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' B' ' 324' ' ' ILE . 0.2 OUTLIER -179.93 159.14 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.77 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . 0.561 HG12 ' O ' ' B' ' 184' ' ' GLU . 5.0 pt -126.52 148.31 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.423 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.433 ' CD1' HD22 ' B' ' 338' ' ' LEU . 0.8 OUTLIER -93.33 135.48 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.747 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . 0.484 ' O ' HG13 ' B' ' 326' ' ' VAL . 4.0 p -131.0 90.36 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.533 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -121.24 157.2 30.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.562 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -64.47 -34.71 78.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.545 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -142.53 119.73 11.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.88 116.16 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 85.9 p -114.05 133.12 55.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.512 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.65 -37.5 63.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.586 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 96.1 m -56.78 -46.73 81.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 97.6 m -57.27 -50.27 73.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.627 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.589 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.2 OUTLIER -54.05 -45.58 71.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.506 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -66.1 9.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.589 ' H ' ' C ' ' B' ' 335' ' ' LEU . 21.2 tt0 -110.32 -32.98 6.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' B' ' 325' ' ' LEU . 1.2 pp -112.74 133.74 21.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.91 135.72 43.49 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.821 2.347 . . . . 0.0 112.065 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' B' ' 340' ' ' GLN . 32.1 tp60 -73.85 -10.99 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -71.56 -39.65 70.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.523 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -82.84 -11.13 58.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 41.3 tp -83.11 102.78 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.476 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -119.06 24.75 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 165.42 153.29 7.52 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.04 149.33 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 0.0 110.501 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 87.3 t -137.07 124.94 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . . . . . . . . . 3.6 t -115.56 148.61 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . 0.769 HH11 ' N ' ' B' ' 374' ' ' ILE . 15.3 ttm180 -115.92 -47.38 2.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.563 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.475 ' O ' ' OD1' ' B' ' 350' ' ' ASP . 59.6 t0 -107.91 -33.66 7.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -39.05 146.61 0.17 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -97.59 156.32 16.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 110.651 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.88 -37.5 76.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' B' ' 355' ' ' SER . 48.1 p-10 -67.67 -13.67 62.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 355' ' ' SER . . . . . 0.445 ' N ' ' OD1' ' B' ' 354' ' ' ASN . 52.9 m -54.45 134.96 46.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 19.5 pt20 -55.49 -40.31 71.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.588 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' B' ' 356' ' ' GLN . . . -59.85 -48.74 80.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -58.81 -40.28 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.625 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.442 HD12 HH11 ' B' ' 362' ' ' ARG . 11.0 mm -71.53 -33.15 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -62.11 -51.15 69.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 25.5 m -66.41 -43.58 91.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.501 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.474 ' HD3' ' O ' ' B' ' 176' ' ' ALA . 14.6 ttp180 -60.26 -44.52 95.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.27 -22.19 62.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.23 -24.9 60.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 95.6 26.47 11.86 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 1.5 mp -109.97 128.99 24.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.614 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.85 128.88 16.83 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.855 2.37 . . . . 0.0 112.102 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 47.0 m -143.61 138.62 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 28.7 m -136.74 148.42 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.566 ' O ' ' N ' ' B' ' 174' ' ' LEU . 0.1 OUTLIER -129.13 163.61 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.93 -4.33 59.07 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -53.36 111.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.55 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . 0.589 ' C ' HH11 ' B' ' 349' ' ' ARG . 6.2 p30 -110.81 62.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . 0.834 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 3.9 tp -137.58 135.48 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -64.77 101.98 0.3 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . 0.834 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 52.6 Cg_exo -50.27 -24.01 10.91 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.746 2.297 . . . . 0.0 112.136 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 49.1 m -58.75 -39.89 82.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.78 -32.31 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.729 ' O ' ' N ' ' B' ' 381' ' ' ARG . 1.3 mm? -84.18 -47.98 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.642 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.625 ' O ' ' O ' ' B' ' 185' ' ' GLY . 61.3 t-80 52.93 -69.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.589 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.729 ' N ' ' O ' ' B' ' 379' ' ' LEU . 8.8 mtm105 -146.56 25.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.582 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -72.72 174.26 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 60.2 m -79.35 122.24 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 3.4 mp -131.11 117.32 18.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.618 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -108.15 122.85 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.576 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 17.2 m -102.27 153.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.558 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.641 ' O ' ' N ' ' B' ' 391' ' ' GLY . 38.5 t0 -136.08 79.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.572 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.7 -44.98 30.73 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -45.61 -53.31 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.506 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.14 8.02 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.604 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.641 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 45.71 53.49 8.51 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -118.3 153.54 33.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 1.3 tt -130.67 118.0 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -102.07 143.46 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.615 ' O ' ' C ' ' B' ' 396' ' ' ASP . 28.3 m -119.38 115.52 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.559 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.615 ' C ' ' O ' ' B' ' 395' ' ' VAL . 20.5 p-10 20.39 56.9 0.22 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.594 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 55.6 Cg_endo . . . . . 0 C--N 1.304 -1.799 0 C-N-CA 122.79 2.327 . . . . 0.0 112.162 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -84.94 159.01 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -133.14 119.68 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 60.7 pttt -126.84 172.85 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.59 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.706 ' NE2' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -161.88 133.98 5.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.6 m -80.04 127.76 32.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.454 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -128.71 124.35 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.461 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -80.71 126.4 31.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.5 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.7 mt -89.64 105.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.696 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.6 OUTLIER -84.4 61.08 6.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 59.86 25.21 14.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.645 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.58 102.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.5 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 0.4 OUTLIER -66.32 -4.59 8.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.587 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.52 ' O ' ' O ' ' A' ' 15' ' ' MET . . . 147.75 124.32 1.46 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.803 ' O ' ' N ' ' A' ' 17' ' ' ALA . 6.7 mtt -29.8 149.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -52.39 63.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.803 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -110.11 -3.62 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.779 ' N ' ' HD3' ' A' ' 19' ' ' PRO . 3.1 mtp180 78.82 36.47 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.517 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.779 ' HD3' ' N ' ' A' ' 18' ' ' ARG . 60.1 Cg_exo -46.8 -55.69 3.63 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.822 2.348 . . . . 0.0 112.025 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.31 -47.45 81.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.522 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.4 -42.72 95.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.28 -38.27 86.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.518 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.9 -46.78 52.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.389 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -55.68 -40.25 72.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -71.96 -36.47 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.51 -42.14 87.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 38.4 ttm -55.54 -31.11 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.484 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -33.19 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.63 -33.56 34.05 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -103.53 155.67 18.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.611 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.62 92.68 5.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.753 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 170.88 157.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -102.3 126.76 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.13 134.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mp -135.84 139.25 43.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.505 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -109.08 149.72 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.581 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -148.08 133.4 18.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.97 157.87 17.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD2' ' OE1' ' A' ' 62' ' ' GLN . 54.7 t0 -53.86 -28.5 36.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 47.9 mt-10 -66.95 -11.14 55.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.64 11.28 59.46 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 p -83.99 116.74 22.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.903 0.382 . . . . 0.0 110.486 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.77 102.61 7.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.97 66.43 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.564 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -41.45 121.55 1.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.528 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -10.21 12.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -100.22 29.23 4.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.74 122.9 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.35 -35.74 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 tt -61.64 -36.76 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.605 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.39 -42.07 88.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.713 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.79 -37.85 77.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.6 -36.54 84.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.428 ' O ' ' OG ' ' A' ' 57' ' ' SER . 22.4 mtm -67.61 -37.27 82.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.04 -36.06 80.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -52.69 -35.49 55.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 54' ' ' MET . 95.7 p -75.99 -6.56 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.47 29.67 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.605 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 97.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.62 5.8 38.83 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.543 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 85.4 mtt180 -106.21 165.78 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.718 0.294 . . . . 0.0 110.58 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.412 ' OE1' ' OD2' ' A' ' 39' ' ' ASP . 2.8 mp0 -99.07 143.05 29.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.547 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.3 pt -130.94 161.89 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.559 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mp0 -123.5 101.52 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 25.5 t -80.74 127.57 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -119.68 138.18 53.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.88 130.38 29.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.485 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.6 t -124.0 129.09 50.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.753 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 142.33 162.59 9.29 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -48.02 -44.88 26.77 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.798 2.332 . . . . 0.0 112.141 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLU . 1.1 mm100 -93.85 6.24 49.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.543 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 13.9 pt-20 -37.7 -37.79 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.538 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 3.2 pt-20 -64.26 -48.86 74.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.597 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.538 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 14.5 mm-40 -57.7 -51.09 70.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.41 -48.99 75.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.44 -45.0 89.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.66 99.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.454 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.62 98.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.36 -44.07 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.7 OUTLIER -63.29 -41.84 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.462 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.505 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.28 -36.55 84.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.426 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.4 mm? -72.71 -37.48 67.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.435 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 13' ' ' LEU . 4.1 m-85 -70.0 -31.91 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.702 ' O ' ' HB2' ' A' ' 85' ' ' SER . 5.8 m120 -82.31 -4.03 56.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.702 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 26.7 m . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 2.0 mp -131.94 140.95 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.563 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -91.56 108.6 20.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . 0.482 ' O ' ' O ' ' B' ' 391' ' ' GLY . . . -103.4 158.42 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.512 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.593 ' N ' ' O ' ' B' ' 370' ' ' MET . 49.0 mt -68.49 117.65 52.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.38 104.11 1.74 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.648 2.232 . . . . 0.0 112.217 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . 0.501 ' O ' ' NH2' ' B' ' 362' ' ' ARG . . . -82.14 -39.81 22.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.599 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . 0.557 ' O ' ' HA3' ' B' ' 388' ' ' GLY . . . -134.67 132.72 20.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.45 138.54 32.83 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.841 2.361 . . . . 0.0 112.106 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 139.06 168.92 11.41 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 76.5 t -121.52 137.53 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.509 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -141.67 142.17 33.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 7.6 tt -126.54 128.75 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 179.79 170.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.601 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . 0.619 ' O ' HG12 ' B' ' 324' ' ' ILE . 92.1 mt-10 -78.16 169.65 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.482 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.775 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -90.31 97.72 2.36 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -105.5 122.15 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.818 0.342 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.589 HD13 ' H ' ' B' ' 204' ' ' ASP . 11.0 tp -68.24 129.12 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.589 ' H ' HD13 ' B' ' 203' ' ' LEU . 73.9 m-20 -152.55 93.6 3.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.583 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . 0.511 ' O ' ' NE ' ' B' ' 209' ' ' ARG . 39.1 Cg_endo -70.32 -20.5 32.12 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.803 2.336 . . . . 0.0 112.111 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -79.57 -41.76 26.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' B' ' 211' ' ' ARG . 35.8 mt -85.93 -36.36 19.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.663 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 0.0 OUTLIER -65.43 -52.79 50.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.541 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' B' ' 205' ' ' PRO . 6.9 ptp180 -60.36 -41.19 93.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.477 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . 0.555 ' HB2' ' O ' ' B' ' 206' ' ' ALA . 3.4 mm-40 -75.62 -34.03 60.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.642 ' NH2' ' OE2' ' B' ' 269' ' ' GLU . 11.2 mtt180 -56.53 -52.62 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . 0.553 ' HB3' ' NH2' ' B' ' 255' ' ' ARG . 0.2 OUTLIER -71.33 -53.79 12.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.331 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 213' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' B' ' 255' ' ' ARG . 81.9 m -50.45 -53.0 32.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.26 -34.37 84.29 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.25 67.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.799 0.333 . . . . 0.0 110.398 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.744 ' O ' ' N ' ' B' ' 220' ' ' ALA . 2.1 tp -54.86 -50.17 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.447 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 71.9 mm-40 -49.76 -37.0 27.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.331 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -80.88 -32.01 35.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.73 -51.99 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.339 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.744 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.84 -51.54 67.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.396 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.6 ' O ' ' NE ' ' B' ' 225' ' ' ARG . 90.3 m-20 -64.32 -33.79 76.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.321 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.674 ' N ' HH11 ' B' ' 225' ' ' ARG . 3.6 tm-20 -70.74 -39.5 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.416 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . 0.437 ' CZ ' ' CD2' ' B' ' 301' ' ' LEU . 2.9 m-85 -64.65 -47.83 77.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.454 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . 0.407 ' HD2' HH21 ' B' ' 224' ' ' ARG . 14.3 mtm180 -60.96 -40.82 94.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . 0.674 HH11 ' N ' ' B' ' 222' ' ' GLU . 81.4 mtm180 -68.53 -30.99 69.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.436 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.7 ' OH ' ' O ' ' B' ' 336' ' ' ALA . 0.3 OUTLIER -63.44 -55.89 20.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 9.2 p -49.99 -44.38 50.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -60.87 -39.75 90.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . 0.464 ' NH1' ' CE1' ' B' ' 226' ' ' TYR . 31.5 ttp-105 -69.67 -39.6 76.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.63 -43.12 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.508 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.65 -36.48 67.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.07 71.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.526 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -93.27 26.76 13.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . 51.51 77.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.643 ' NE2' ' H ' ' B' ' 238' ' ' THR . 0.0 OUTLIER -143.15 92.63 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.98 -42.32 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.587 ' OE1' ' N ' ' B' ' 238' ' ' THR . 16.3 tm-20 -50.58 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.643 ' H ' ' NE2' ' B' ' 235' ' ' GLN . 3.0 p -46.85 -59.09 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . 0.443 ' H ' ' HG1' ' B' ' 238' ' ' THR . . . -48.63 -50.53 32.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.48 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.32 88.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . 0.407 HG23 ' N ' ' B' ' 242' ' ' PHE . 1.3 mp -68.07 -54.91 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.407 ' N ' HG23 ' B' ' 241' ' ' ILE . 11.3 m-85 -58.66 -53.86 53.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.572 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -43.5 -41.99 4.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.433 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.91 -38.76 79.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.483 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.522 ' OH ' ' HB2' ' B' ' 297' ' ' ASP . 10.6 m-85 -70.73 -42.27 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.18 -46.68 35.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.569 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.464 ' O ' ' ND1' ' B' ' 247' ' ' HIS . 0.0 OUTLIER -73.41 -26.55 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.557 ' CD2' ' C ' ' B' ' 248' ' ' LEU . 0.6 OUTLIER -69.99 -40.18 75.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . 0.437 ' N ' HD22 ' B' ' 248' ' ' LEU . 2.8 mt -72.13 -38.02 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 60.2 p -76.09 -17.8 59.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.721 ' OD1' ' N ' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -44.53 116.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 13.6 t -57.24 0.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.476 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.721 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 7.2 ttt180 -86.58 -40.84 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . 0.701 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 4.7 mp -77.46 -38.03 50.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.553 ' NH2' ' HB3' ' B' ' 212' ' ' LEU . 14.3 tpt180 -63.09 -50.94 68.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' B' ' 260' ' ' ALA . 20.6 tpp180 -60.34 -46.57 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.35 -50.76 58.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . 0.504 HD21 ' CD2' ' B' ' 212' ' ' LEU . 0.1 OUTLIER -54.44 -63.55 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.638 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . 0.577 ' O ' HG23 ' B' ' 262' ' ' VAL . 3.2 t80 -53.65 -25.61 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' B' ' 256' ' ' ARG . . . -72.72 -40.17 66.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.37 -49.43 77.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 259' ' ' PHE . 2.8 m -65.29 -34.4 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.597 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.29 -15.98 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -92.77 -17.13 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.36 20.38 2.44 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 266' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' B' ' 262' ' ' VAL . 6.2 m -103.57 157.08 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.548 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 8.2 t -91.1 141.68 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -54.57 -36.64 64.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.642 ' OE2' ' NH2' ' B' ' 211' ' ' ARG . 1.1 mp0 -54.47 -47.26 73.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -83.58 -31.8 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.619 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.458 ' O ' ' CG2' ' B' ' 275' ' ' VAL . . . -59.83 -49.4 77.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.639 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.44 -31.21 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . 0.756 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 38.1 ttpt -80.25 -44.88 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 274' ' ' THR . . . . . 0.465 ' O ' ' N ' ' B' ' 278' ' ' LYS . 97.1 m -64.39 -51.66 62.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.753 ' CG2' ' H ' ' B' ' 276' ' ' ILE . 21.4 m -58.24 -63.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.511 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.753 ' H ' ' CG2' ' B' ' 275' ' ' VAL . 7.2 tp -47.91 -41.42 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.622 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.756 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 0.4 OUTLIER -74.1 -40.59 62.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.528 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' B' ' 274' ' ' THR . 5.5 ttpm? -63.01 -35.13 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.591 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . 0.498 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 35.9 m-85 -82.92 -12.58 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . 0.44 ' O ' ' HB1' ' B' ' 284' ' ' ALA . . . -76.79 -44.81 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.629 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.476 ' CD ' ' O ' ' B' ' 277' ' ' GLU . 3.2 pm0 -85.72 -28.87 24.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . 0.413 ' NE2' ' CD2' ' B' ' 279' ' ' PHE . 3.2 mt-30 -53.52 -51.47 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.499 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.611 ' CD2' ' N ' ' B' ' 283' ' ' PHE . 0.7 OUTLIER -77.83 -42.99 31.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.603 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' B' ' 280' ' ' ALA . . . -41.25 -33.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -51.61 -17.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.7 172.82 9.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 89.4 p -108.61 -24.16 11.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -43.73 115.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -54.92 -53.07 60.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.26 -28.31 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.413 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.504 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -74.72 -56.62 4.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.499 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 291' ' ' LEU . 8.6 mmtp -38.54 -47.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.395 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.11 -46.21 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.316 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -39.33 87.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.218 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.98 85.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.269 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -53.2 -40.19 59.46 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . 0.522 ' HB2' ' OH ' ' B' ' 245' ' ' TYR . 0.2 OUTLIER -65.39 -38.11 89.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.242 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 4.2 mt -54.0 -50.96 65.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.315 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . 0.776 ' HG3' ' N ' ' B' ' 300' ' ' ALA . 0.1 OUTLIER -54.4 -37.34 64.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.225 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . 0.776 ' N ' ' HG3' ' B' ' 299' ' ' ARG . . . -67.9 -38.6 83.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.207 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . 0.446 ' C ' ' CD1' ' B' ' 301' ' ' LEU . 1.8 tm? -50.47 -42.93 55.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.267 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -64.71 -40.2 97.26 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -43.99 89.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.366 . . . . 0.0 110.248 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.484 ' O ' ' CD2' ' B' ' 308' ' ' HIS . 0.0 OUTLIER -71.64 -36.66 70.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.235 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -39.44 78.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . 0.613 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.5 OUTLIER -56.94 -40.32 76.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.383 179.738 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -41.61 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 82.3 m-70 -66.39 -33.13 75.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.451 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 8.2 tp -61.59 -9.12 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.499 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . 0.613 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 6.4 m-20 -107.12 115.19 29.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.579 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.893 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 84.2 mtt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.74 0.305 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.893 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 27.9 m-85 -174.81 167.18 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . 0.619 HG12 ' O ' ' B' ' 184' ' ' GLU . 7.3 pt -101.39 147.11 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.577 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.97 110.72 17.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.2 97.99 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -134.52 149.13 50.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.484 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.83 -27.97 68.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -151.49 123.33 8.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.591 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 2.4 mt -57.93 131.59 50.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.619 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 4.1 m -130.78 123.59 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.568 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.03 -39.53 66.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.674 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 61.9 m -58.65 -43.31 89.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 60.7 m -60.7 -50.27 74.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 5.2 mp -49.73 -43.64 47.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . 0.7 ' O ' ' OH ' ' B' ' 226' ' ' TYR . . . -64.11 -24.82 67.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.75 -35.92 79.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 7.3 mp -115.76 126.12 28.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -48.19 143.67 14.13 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.839 2.359 . . . . 0.0 112.112 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -67.39 -7.5 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.493 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.21 -38.84 42.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.629 ' HA ' ' HE ' ' B' ' 342' ' ' ARG . 9.2 mmp_? -78.72 -24.82 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -69.16 113.32 6.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 6.1 t -122.72 19.61 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.582 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 159.61 163.95 14.12 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 48.9 t -148.05 151.23 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.509 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.29 125.52 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.54 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . . . . . . . . . 89.2 t -109.18 148.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -86.18 -54.85 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.654 ' O ' ' N ' ' B' ' 352' ' ' ALA . 0.0 OUTLIER -135.99 -19.03 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . -53.54 74.34 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -34.36 157.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.51 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.93 -6.12 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' B' ' 352' ' ' ALA . 1.4 t-20 -54.02 -33.57 57.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.57 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 51.9 m -51.46 141.25 16.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -58.91 -37.72 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.624 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.87 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.54 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.564 HD12 HH11 ' B' ' 362' ' ' ARG . 38.4 mm -64.86 -31.68 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.65 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 37.8 tpp -86.39 -25.03 25.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . 0.622 ' CG1' ' N ' ' B' ' 362' ' ' ARG . 0.4 OUTLIER -65.85 -48.38 82.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.501 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.622 ' N ' ' CG1' ' B' ' 361' ' ' VAL . 3.7 ptp180 -68.51 -36.32 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.527 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.432 ' N ' ' CG ' ' B' ' 362' ' ' ARG . . . -68.45 -24.13 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 5.4 tp -79.72 -21.57 44.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.53 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 91.7 37.98 5.96 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 3.4 mm -118.81 117.39 33.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 110.567 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -47.93 135.01 23.58 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.817 2.345 . . . . 0.0 112.13 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 87.3 m -154.51 145.87 23.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.565 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . 0.445 ' C ' ' SD ' ' B' ' 370' ' ' MET . 27.4 m -135.15 154.57 36.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.593 ' O ' ' N ' ' B' ' 174' ' ' LEU . 1.2 mmm -132.53 163.87 27.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.672 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 95.21 -2.64 65.84 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.7 112.79 0.9 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.775 0.321 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.04 31.7 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . 0.543 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 5.8 tt -109.56 143.95 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.574 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 20.1 mp0 -71.39 109.8 6.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.602 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . 0.543 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 50.1 Cg_exo -48.74 -35.01 29.24 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.78 2.32 . . . . 0.0 112.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 60.6 m -53.08 -39.22 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 86.7 t -69.11 -36.87 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' B' ' 380' ' ' HIS . 55.9 mt -71.06 -27.2 63.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.775 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER -0.8 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.562 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.427 ' H ' ' HB3' ' B' ' 380' ' ' HIS . 2.7 ptp180 -93.07 -2.13 55.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . 0.809 HH22 ' CG ' ' B' ' 396' ' ' ASP . 1.3 ttp85 -63.95 159.03 20.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 383' ' ' THR . . . . . 0.551 ' O ' ' NH1' ' B' ' 382' ' ' ARG . 1.2 p -86.17 131.38 34.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 27.2 tp -140.62 117.85 11.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.506 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 63.9 mt -101.06 120.13 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 5.9 m -109.57 135.45 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.618 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.2 t0 -121.33 95.44 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . 0.557 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -53.24 -40.16 59.71 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -48.65 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.831 0.348 . . . . 0.0 110.523 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . 0.405 ' CZ ' ' OD2' ' B' ' 387' ' ' ASP . 91.1 mtm-85 -90.99 -7.54 51.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 47.94 62.21 4.33 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -152.4 167.38 28.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.34 125.46 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 2.5 mp -98.86 144.87 27.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.526 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.679 ' O ' ' C ' ' B' ' 396' ' ' ASP . 85.6 t -112.55 101.76 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.809 ' CG ' HH22 ' B' ' 382' ' ' ARG . 10.4 p-10 -7.75 77.54 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.657 ' N ' ' O ' ' B' ' 395' ' ' VAL . 47.4 Cg_endo . . . . . 0 C--N 1.306 -1.68 0 C-N-CA 122.787 2.325 . . . . 0.0 112.085 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.73 160.1 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.9 t -134.18 119.77 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 43.9 pttt -126.6 173.55 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.575 HE22 ' HB ' ' A' ' 80' ' ' ILE . 4.7 pt20 -160.82 136.58 8.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.7 m -83.92 124.09 30.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.667 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.3 t -125.01 126.71 71.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.46 124.72 30.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.484 HD11 HG23 ' A' ' 9' ' ' ILE . 50.0 mt -87.51 106.01 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 40.6 p -83.83 55.65 3.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' THR . 35.2 m120 66.01 19.16 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.487 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' H ' ' A' ' 14' ' ' GLY . 2.2 tptp -160.37 102.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.583 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.555 ' CD2' ' H ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -67.45 0.96 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.56 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.632 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 116.53 32.19 1.66 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.686 ' SD ' ' HD2' ' A' ' 18' ' ' ARG . 16.9 ttt 91.93 1.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.602 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 1.061 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 11.2 p80 40.11 -179.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 21' ' ' MET . . . 52.03 -74.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.686 ' HD2' ' SD ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -49.65 -56.76 14.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.558 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 1.061 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 29.7 Cg_endo -66.3 -45.32 5.54 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.72 2.28 . . . . 0.0 112.076 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB3' HD12 ' A' ' 52' ' ' LEU . . . -68.82 -37.8 79.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.59 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.574 ' N ' ' O ' ' A' ' 17' ' ' ALA . 2.0 tmt? -74.58 -39.45 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.596 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.579 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 19.4 mmtp -62.16 -36.5 82.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.564 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 tp -50.61 -45.0 57.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.647 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.585 ' N ' ' CD2' ' A' ' 24' ' ' PHE . 1.8 m-30 -57.95 -37.08 73.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -76.49 -32.6 58.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 30' ' ' PHE . 3.4 mm? -69.49 -41.44 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.528 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.3 mtp -56.93 -33.16 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 24' ' ' PHE . 7.2 mm100 -78.59 -36.35 44.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.9 -29.74 50.36 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.543 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . 16.6 m-85 -107.67 150.45 26.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.549 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.487 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 70.4 m-20 -95.15 97.26 9.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.549 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.812 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 164.94 154.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.552 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -99.38 130.63 45.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.585 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.3 t -107.97 134.34 50.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.439 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.31 137.81 41.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.2 mp -108.24 150.87 26.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.397 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.552 ' NE ' ' OE2' ' A' ' 43' ' ' GLU . 11.5 mtp180 -146.35 135.41 22.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -92.09 153.62 19.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -50.79 -28.59 9.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -67.77 -10.9 56.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.47 11.75 59.16 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.9 m -84.29 117.24 23.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.655 0.264 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.552 ' OE2' ' NE ' ' A' ' 37' ' ' ARG . 55.1 mm-40 -78.21 103.29 8.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.494 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.43 ' CA ' ' HB3' ' A' ' 51' ' ' ALA . . . -89.47 65.25 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -41.03 121.63 1.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.538 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.3 -9.33 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -99.91 27.4 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -146.05 123.86 11.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.605 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.3 m -63.89 -35.49 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.995 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -61.78 -35.88 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.58 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HB3' ' CA ' ' A' ' 44' ' ' ALA . . . -66.53 -42.03 87.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.471 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.84 -39.5 81.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.569 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.995 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 1.8 pp -64.46 -35.94 82.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.596 ' O ' ' SD ' ' A' ' 54' ' ' MET . 1.1 tmm? -68.52 -35.96 78.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.52 -35.24 80.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -52.81 -34.68 54.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 t -76.91 -6.5 52.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.93 28.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.603 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -68.43 97.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.487 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.08 6.22 39.84 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.73 164.32 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -97.25 143.42 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.657 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.628 HG12 ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -131.13 160.84 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.494 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.628 ' N ' HG12 ' A' ' 63' ' ' ILE . 57.4 mp0 -122.89 101.01 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 21.7 t -80.93 127.9 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.49 139.04 53.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.71 130.57 30.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.63 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.7 m -123.67 128.84 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.532 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.812 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 142.51 161.0 8.58 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -46.54 -45.54 19.26 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.864 2.376 . . . . 0.0 112.156 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.543 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 3.4 mt-30 -93.07 4.89 53.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.448 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.559 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 9.5 pt-20 -35.79 -38.47 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 81.3 mt-10 -63.81 -48.37 77.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.8 mp0 -58.1 -50.19 74.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.35 -48.06 79.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.476 ' HG ' ' NE2' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -65.62 -43.86 88.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.536 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' O ' HG21 ' A' ' 80' ' ' ILE . . . -62.55 -42.31 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.19 99.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.533 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -66.91 -41.89 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.575 ' HB ' HE22 ' A' ' 5' ' ' GLN . 0.9 OUTLIER -65.41 -40.88 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.507 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.533 ' N ' HG21 ' A' ' 80' ' ' ILE . . . -63.85 -36.37 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.477 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.8 mt -73.66 -36.91 65.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.505 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.2 m-85 -69.31 -33.05 72.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.643 ' O ' ' HB2' ' A' ' 85' ' ' SER . 3.3 m120 -81.2 -8.77 59.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.626 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.643 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 29.2 m . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.606 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . 0.47 ' O ' ' CD ' ' B' ' 392' ' ' GLU . 50.2 mm -120.85 131.58 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -80.29 122.24 26.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -121.91 160.5 24.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.638 ' CD2' ' N ' ' B' ' 174' ' ' LEU . 2.8 mm? -83.25 112.13 36.45 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.491 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.07 119.71 6.35 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.758 2.305 . . . . 0.0 112.127 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -93.26 -42.51 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -133.2 111.09 12.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.4 155.74 1.17 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.772 2.314 . . . . 0.0 112.191 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 125.95 160.95 10.81 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 14.6 p -118.14 132.3 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.373 . . . . 0.0 110.584 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -136.05 135.15 39.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 11.9 pt -124.62 132.99 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.526 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 178.76 173.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.62 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -79.77 158.92 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . . . . . . . . . . . -89.86 128.24 9.12 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . 0.461 ' O ' ' CG2' ' B' ' 326' ' ' VAL . 10.0 t90 -122.23 133.75 54.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 0.0 110.539 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . 0.551 ' OE1' ' O ' ' B' ' 326' ' ' VAL . 69.8 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.425 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 0.5 OUTLIER -83.92 131.01 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.486 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.794 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 73.4 m-20 -149.87 93.74 3.91 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.654 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . 0.54 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 35.5 Cg_endo -68.07 -26.99 36.36 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.791 2.327 . . . . 0.0 112.032 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -74.14 -44.63 52.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.463 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' B' ' 211' ' ' ARG . 9.7 mp -82.36 -37.21 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.794 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 77.2 mm-40 -69.7 -50.06 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.452 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . 0.551 ' NH2' ' CZ ' ' B' ' 259' ' ' PHE . 48.2 tpt85 -55.25 -47.57 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.388 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.05 -39.99 75.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.639 ' NH1' ' OE2' ' B' ' 269' ' ' GLU . 29.5 mtp180 -53.79 -42.16 68.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.371 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.28 -48.56 72.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.434 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 34.2 m -53.92 -49.02 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.389 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.33 -34.61 90.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . 0.413 ' CB ' HD22 ' B' ' 309' ' ' LEU . . . -72.32 -42.18 65.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.737 0.303 . . . . 0.0 110.451 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 3.9 tp -58.74 -49.14 78.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.464 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -51.84 -35.01 43.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -77.48 -34.26 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -82.47 -48.12 11.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.481 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.4 93.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.509 ' O ' ' HD3' ' B' ' 225' ' ' ARG . 98.1 m-20 -68.8 -31.27 70.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.514 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.659 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.2 OUTLIER -64.03 -37.86 88.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . 0.681 ' CD1' ' OG ' ' B' ' 246' ' ' SER . 0.0 OUTLIER -71.36 -49.92 37.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . 0.622 ' N ' ' CG ' ' B' ' 223' ' ' PHE . 4.4 ttm180 -51.18 -42.56 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.465 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . 0.722 ' O ' ' HG2' ' B' ' 229' ' ' ARG . 40.9 mtp180 -76.17 -31.28 58.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.461 ' HA ' ' HE ' ' B' ' 229' ' ' ARG . 0.2 OUTLIER -64.6 -69.93 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.472 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 87.6 p -52.75 -36.52 57.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.508 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -53.1 -54.0 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . 0.722 ' HG2' ' O ' ' B' ' 225' ' ' ARG . 9.9 ptt180 -74.01 -45.68 48.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . 0.606 ' O ' ' N ' ' B' ' 234' ' ' ALA . 1.3 m-85 -52.45 -56.78 12.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -53.2 -34.11 55.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.469 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -63.74 -26.46 68.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -121.61 -63.93 0.23 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.606 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -52.17 -172.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.577 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.584 ' O ' ' OG1' ' B' ' 238' ' ' THR . 4.7 pt20 -91.52 161.12 15.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -34.4 57.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.49 -58.42 5.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.674 ' HG1' ' H ' ' B' ' 239' ' ' ALA . 6.5 p -41.32 -63.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . 0.674 ' H ' ' HG1' ' B' ' 238' ' ' THR . . . -52.97 -45.33 67.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.624 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -53.91 -40.55 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.635 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . 0.462 ' N ' HD13 ' B' ' 241' ' ' ILE . 1.0 OUTLIER -65.42 -60.29 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.604 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.17 -53.89 53.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.04 -44.8 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 21.5 tp -69.3 -41.34 76.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.565 ' O ' ' N ' ' B' ' 248' ' ' LEU . 0.5 OUTLIER -70.81 -41.4 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 246' ' ' SER . . . . . 0.681 ' OG ' ' CD1' ' B' ' 223' ' ' PHE . 44.1 m -43.81 -42.14 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.617 ' HA ' ' HG ' ' B' ' 250' ' ' SER . 2.2 t-80 -75.42 -10.79 59.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.848 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 6.2 tt -70.53 -47.15 61.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.538 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . 0.81 ' HG ' ' N ' ' B' ' 250' ' ' SER . 0.7 OUTLIER -85.71 -37.16 19.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 250' ' ' SER . . . . . 0.81 ' N ' ' HG ' ' B' ' 249' ' ' LEU . 54.0 p -64.14 -31.93 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.849 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 10.1 p30 -54.82 117.59 3.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -6.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.621 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.556 ' H ' ' C ' ' B' ' 251' ' ' ASP . 14.1 ttp-105 -68.52 -58.73 3.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.659 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -47.68 82.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.561 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -59.51 -46.04 89.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.698 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -54.98 -42.18 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.4 -45.36 91.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.68 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.87 -51.0 71.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.704 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . 0.551 ' CZ ' ' NH2' ' B' ' 209' ' ' ARG . 26.6 m-85 -57.99 -32.8 68.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.562 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -58.37 -40.54 82.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.62 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . 0.793 ' C ' ' HG ' ' B' ' 266' ' ' SER . 1.2 mp0 -67.89 -36.56 80.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . 0.44 ' HA ' ' OG ' ' B' ' 266' ' ' SER . 54.4 t -69.33 -36.51 72.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.59 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -57.27 -21.26 33.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -85.79 -22.69 27.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 128.18 24.85 1.13 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 266' ' ' SER . . . . . 0.793 ' HG ' ' C ' ' B' ' 261' ' ' GLU . 26.9 p -100.68 162.47 12.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.616 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.581 ' O ' ' HB2' ' B' ' 271' ' ' ALA . 3.1 m -107.38 155.32 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . 0.472 ' CB ' ' OE1' ' B' ' 208' ' ' GLU . . . -54.19 -43.68 70.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.653 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.639 ' OE2' ' NH1' ' B' ' 211' ' ' ARG . 3.3 mp0 -44.66 -57.6 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.644 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -79.03 -37.02 40.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.561 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' B' ' 267' ' ' VAL . . . -57.08 -48.83 77.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.46 -36.08 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.647 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . 0.522 ' CD ' ' C ' ' B' ' 273' ' ' LYS . 0.0 OUTLIER -79.87 -38.15 33.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.721 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 98.7 m -67.82 -56.44 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.558 ' CG1' ' N ' ' B' ' 276' ' ' ILE . 3.6 p -51.7 -44.96 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.508 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.558 ' N ' ' CG1' ' B' ' 275' ' ' VAL . 22.5 mm -65.61 -37.91 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 0.8 OUTLIER -67.1 -35.65 80.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.533 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -70.25 -36.31 74.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.651 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' B' ' 283' ' ' PHE . 1.8 m-85 -85.33 -14.36 46.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.494 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . 0.514 ' O ' ' HB1' ' B' ' 284' ' ' ALA . . . -74.79 -32.93 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.645 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' B' ' 285' ' ' ALA . 6.4 mp0 -98.69 -39.92 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.614 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.77 -44.27 90.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.578 ' CD2' ' N ' ' B' ' 284' ' ' ALA . 0.0 OUTLIER -82.14 -33.02 29.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . 0.578 ' N ' ' CD2' ' B' ' 283' ' ' PHE . . . -85.79 1.09 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 281' ' ' GLU . . . -81.17 -7.25 59.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.66 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.438 ' HG ' ' CD1' ' A' ' 53' ' ' LEU . 2.0 mm? -75.22 -178.73 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.629 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 75.4 m -101.59 -32.06 10.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.652 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.611 ' OD1' HD21 ' B' ' 291' ' ' LEU . 8.9 t70 -49.76 142.44 8.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -83.52 -37.67 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . 0.6 ' HH ' HH11 ' B' ' 294' ' ' ARG . 30.9 t80 -45.8 -29.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.467 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.611 HD21 ' OD1' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -100.09 -63.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' B' ' 284' ' ' ALA . 0.1 OUTLIER -37.32 -41.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -72.46 -48.65 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.6 HH11 ' HH ' ' B' ' 290' ' ' TYR . 29.2 mtt180 -56.33 -19.42 14.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 294' ' ' ARG . . . -37.45 -50.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.42 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -47.41 -41.01 16.5 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' B' ' 294' ' ' ARG . 8.8 m-20 -65.53 -46.52 79.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 0.0 110.497 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.81 -54.53 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.378 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -59.35 -36.5 75.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . 0.42 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -62.32 -41.41 98.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.341 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -43.75 71.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.375 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.78 -41.72 99.21 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -45.01 94.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.862 0.363 . . . . 0.0 110.471 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.659 HH11 ' CD ' ' B' ' 222' ' ' GLU . 14.2 mmm-85 -63.47 -41.65 98.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.325 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . 0.412 ' O ' HD21 ' B' ' 309' ' ' LEU . 1.1 tp -65.61 -39.6 91.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.451 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.57 -37.83 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.36 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -67.25 -42.53 83.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.359 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 5.9 m-70 -69.48 -27.34 65.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.452 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . 0.413 HD22 ' CB ' ' B' ' 215' ' ' ALA . 0.9 OUTLIER -60.28 -15.35 24.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.589 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -110.73 111.65 22.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 6.5 tpp85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.872 0.368 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 171.97 156.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' B' ' 325' ' ' LEU . 8.5 mt -110.22 156.13 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.481 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.475 ' N ' ' CG2' ' B' ' 324' ' ' ILE . 13.7 tp -102.85 125.59 49.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . 0.551 ' O ' ' OE1' ' B' ' 187' ' ' GLN . 0.6 OUTLIER -119.28 98.92 6.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -125.38 155.07 40.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . 0.592 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 6.3 p-10 -68.58 -30.88 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.544 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 329' ' ' GLU . 0.3 OUTLIER -148.01 132.86 18.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.44 118.41 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.575 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 75.1 m -128.63 134.83 48.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -49.49 -40.18 36.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 333' ' ' THR . . . . . 0.57 HG21 ' H ' ' B' ' 334' ' ' THR . 2.0 t -48.6 -49.25 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 334' ' ' THR . . . . . 0.57 ' H ' HG21 ' B' ' 333' ' ' THR . 8.7 m -60.53 -50.82 72.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 1.6 tp -50.16 -45.57 53.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -78.78 14.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -102.6 -37.02 8.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.97 HD23 ' O ' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -126.94 136.05 28.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.639 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . 0.634 ' O ' ' CD2' ' B' ' 338' ' ' LEU . 52.2 Cg_exo -47.9 147.16 7.79 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.84 2.36 . . . . 0.0 112.077 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -73.6 -22.27 60.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.16 -42.92 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.435 ' HD3' ' HB2' ' B' ' 339' ' ' PRO . 3.8 mpt_? -77.0 -4.09 42.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 23.0 tp -97.18 100.08 11.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.485 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 17.4 m -107.25 14.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.624 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 160.77 144.91 4.13 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.63 152.45 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 0.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.74 126.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.511 HG13 ' H ' ' B' ' 350' ' ' ASP . 15.6 t -111.03 154.72 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -87.63 -31.84 19.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.665 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.558 ' O ' ' C ' ' B' ' 351' ' ' GLY . 58.6 t0 -142.8 -102.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . 0.558 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 25.71 72.34 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . 0.616 ' O ' ' CB ' ' B' ' 353' ' ' ALA . . . -90.75 178.52 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.606 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' B' ' 352' ' ' ALA . . . 89.8 -174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.604 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . 0.553 ' O ' ' O ' ' B' ' 355' ' ' SER . 38.1 m-20 -62.72 -42.46 99.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 355' ' ' SER . . . . . 0.553 ' O ' ' O ' ' B' ' 354' ' ' ASN . 0.1 OUTLIER 54.65 148.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.52 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' B' ' 360' ' ' MET . 29.8 mt-30 -67.59 -41.26 84.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -80.9 -48.64 12.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.625 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' B' ' 354' ' ' ASN . . . -53.72 -48.36 69.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.52 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' B' ' 360' ' ' MET . 15.0 tt -61.79 -40.52 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 360' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' B' ' 356' ' ' GLN . 55.6 mtm -69.74 -44.04 71.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . 0.497 HG11 ' N ' ' B' ' 362' ' ' ARG . 0.5 OUTLIER -62.63 -42.06 94.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.622 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.497 ' N ' HG11 ' B' ' 361' ' ' VAL . 2.8 mtt180 -62.65 -45.12 94.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.51 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.88 68.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.505 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.78 -26.18 64.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 89.44 31.21 11.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 2.2 mm -105.58 122.7 41.83 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.29 129.64 16.17 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.841 2.36 . . . . 0.0 112.205 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 98.3 m -148.69 151.26 34.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 4.0 p -146.95 149.37 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.546 ' O ' ' N ' ' B' ' 174' ' ' LEU . 2.3 mtt -133.47 163.54 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 107.52 2.52 35.14 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.03 109.09 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 110.548 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -99.46 34.3 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . 0.562 ' N ' ' CD1' ' B' ' 374' ' ' ILE . 0.0 OUTLIER -105.37 163.86 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.553 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 20.1 mp0 -80.68 118.66 73.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.608 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.44 -40.79 29.37 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.846 2.364 . . . . 0.0 112.122 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 35.3 t -53.3 -54.89 29.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.597 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 69.4 t -57.51 -42.05 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.45 ' C ' ' H ' ' B' ' 381' ' ' ARG . 3.9 mp -64.4 -35.9 82.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.706 ' CG ' ' O ' ' B' ' 380' ' ' HIS . 6.6 t60 -76.86 39.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.575 ' C ' ' HG2' ' B' ' 382' ' ' ARG . 0.3 OUTLIER -161.3 12.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.519 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . 0.575 ' HG2' ' C ' ' B' ' 381' ' ' ARG . 13.9 mmt85 -148.05 175.52 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 21.8 m -84.61 141.94 30.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.621 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 13.2 mt -115.08 140.47 49.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.444 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . 0.409 HD11 HG21 ' B' ' 385' ' ' ILE . 0.2 OUTLIER -130.46 95.54 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.533 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.1 141.78 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.695 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.678 ' O ' ' N ' ' B' ' 391' ' ' GLY . 60.1 t0 -139.16 81.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.587 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -51.61 -39.46 45.83 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -55.5 -50.99 68.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.572 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . 0.418 HH12 HD13 ' B' ' 394' ' ' LEU . 34.5 ttp180 -93.95 -11.89 29.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 55.0 47.06 75.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . 0.47 ' CD ' ' O ' ' B' ' 171' ' ' ILE . 1.0 OUTLIER -127.17 160.53 30.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.712 0.291 . . . . 0.0 110.581 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 12.3 tp -125.23 115.48 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.68 ' N ' ' CD2' ' B' ' 394' ' ' LEU . 1.4 mm? -96.69 154.77 17.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.587 ' O ' ' C ' ' B' ' 396' ' ' ASP . 18.4 m -123.28 91.07 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' B' ' 395' ' ' VAL . 16.6 p-10 23.72 56.21 0.3 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.535 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 40.4 Cg_endo . . . . . 0 C--N 1.306 -1.683 0 C-N-CA 122.737 2.291 . . . . 0.0 112.152 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.5 t -84.6 159.16 20.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.573 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.467 ' HB ' ' OE1' ' A' ' 72' ' ' GLU . 69.0 t -133.2 120.36 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.6 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 5' ' ' GLN . 46.6 pttt -127.61 171.24 11.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.641 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 62.8 mt-30 -158.82 135.0 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.9 m -81.95 124.29 29.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.4 t -125.16 127.08 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -83.43 125.92 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.477 HG21 HD11 ' A' ' 9' ' ' ILE . 39.7 mt -88.95 105.29 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 1.24 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 57.6 p -83.4 56.62 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 1.24 ' OD1' ' O ' ' A' ' 10' ' ' THR . 2.6 p-10 63.83 24.57 13.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -165.58 99.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.73 HD11 ' O ' ' A' ' 13' ' ' LEU . 1.1 tm? -61.03 -11.54 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.564 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.45 -89.7 0.11 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.643 ' O ' ' N ' ' A' ' 17' ' ' ALA . 10.1 mtm -133.57 -164.74 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.585 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.705 ' C ' ' H ' ' A' ' 18' ' ' ARG . 8.0 t-80 -58.08 68.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.56 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.643 ' N ' ' O ' ' A' ' 15' ' ' MET . . . 55.88 -7.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.503 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.705 ' H ' ' C ' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -43.77 -53.1 13.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.621 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 51.8 Cg_exo -47.87 -49.17 14.27 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.796 2.331 . . . . 0.0 112.166 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.05 87.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.2 tpt -64.94 -40.68 95.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.502 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -64.06 -37.71 88.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.22 -45.54 53.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -56.92 -39.45 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.566 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -73.85 -33.91 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.65 -43.12 81.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.6 -33.68 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -79.26 -34.58 42.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.67 -31.05 41.78 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -106.04 153.24 22.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.511 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 10.2 m-20 -97.38 94.1 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.795 ' HB2' ' HA3' ' A' ' 69' ' ' GLY . . . 167.64 155.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -100.3 130.23 46.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.7 p -107.37 132.87 53.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -134.53 136.38 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 3.6 mp -106.06 151.23 24.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -147.72 133.87 19.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.658 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.915 ' ND2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -91.02 156.12 18.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.63 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -53.21 -28.45 26.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.632 ' CA ' HD22 ' A' ' 38' ' ' ASN . 2.9 tp10 -67.47 -10.22 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.609 ' N ' ' ND2' ' A' ' 38' ' ' ASN . . . 91.53 12.32 59.74 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.915 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 68.7 m -85.21 116.57 23.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.643 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.488 ' OE1' ' CG ' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -77.47 103.65 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.569 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.9 64.98 6.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' CG ' ' OE1' ' A' ' 43' ' ' GLU . 41.8 mt-10 -40.26 121.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.16 -9.7 12.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.696 ' C ' HD21 ' A' ' 47' ' ' ASN . 0.3 OUTLIER -99.81 27.54 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -145.63 124.48 12.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.559 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 p -64.13 -36.13 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.505 HG12 ' N ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -61.29 -37.15 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.505 ' N ' HG12 ' A' ' 50' ' ' ILE . . . -65.21 -42.01 93.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.55 -38.39 80.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.735 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -65.82 -33.49 75.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.601 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.494 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 1.2 tpt -71.81 -34.67 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -64.86 -34.46 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.594 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -34.79 61.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.88 -6.62 51.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.484 ' CB ' HH11 ' A' ' 61' ' ' ARG . . . -83.25 28.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.612 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -68.72 97.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.01 5.89 40.43 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.484 HH11 ' CB ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -105.83 165.27 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.549 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.91 142.47 30.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.415 HG21 ' HA ' ' A' ' 38' ' ' ASN . 40.6 pt -130.17 162.34 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.584 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.684 ' O ' ' OE1' ' A' ' 66' ' ' GLU . 41.8 tt0 -124.55 100.82 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -80.56 128.23 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.538 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.684 ' OE1' ' O ' ' A' ' 64' ' ' GLU . 3.9 pm0 -120.88 138.01 54.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.554 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.54 131.92 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 73.1 m -124.91 128.28 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.795 ' HA3' ' HB2' ' A' ' 32' ' ' ALA . . . 142.84 162.54 9.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -47.28 -45.82 21.26 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.828 2.352 . . . . 0.0 112.124 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.7 mp0 -92.76 5.26 51.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.655 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.586 ' OE1' ' C ' ' A' ' 72' ' ' GLU . 1.3 pp20? -35.57 -38.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 5.9 tp10 -63.98 -49.56 72.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.548 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' GLN . 14.3 mp0 -56.96 -51.17 70.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.621 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' O ' ' CG1' ' A' ' 79' ' ' VAL . . . -56.04 -49.36 73.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.98 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -64.67 -44.11 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.531 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.0 99.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.48 -43.9 98.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.98 HG23 ' O ' ' A' ' 76' ' ' LEU . 2.5 m -66.44 -42.75 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.505 ' N ' ' CG2' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -64.72 -41.75 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.472 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.501 ' N ' HG21 ' A' ' 80' ' ' ILE . . . -63.73 -35.3 80.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.457 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 36.6 mt -74.16 -37.73 63.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.507 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.475 ' N ' ' CD2' ' A' ' 83' ' ' PHE . 10.3 m-30 -69.78 -31.87 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.458 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 85' ' ' SER . 93.0 m-20 -82.39 -3.46 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.57 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.32 150.04 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.6 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.523 HH12 ' CZ ' ' B' ' 390' ' ' ARG . 7.5 mmt180 -100.95 128.03 47.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' B' ' 370' ' ' MET . . . -128.39 158.72 37.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.552 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' B' ' 370' ' ' MET . 11.8 mt -69.8 115.62 35.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.88 102.0 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.78 2.32 . . . . 0.0 112.139 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -78.1 -35.83 48.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.464 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -143.25 135.79 13.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.66 148.35 46.95 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.72 2.28 . . . . 0.0 112.132 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 130.09 164.3 11.32 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 61.3 t -105.03 156.46 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.568 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -146.78 126.23 13.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.619 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 17.2 tt -132.71 119.52 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 175.9 -178.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.466 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -77.83 152.33 33.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.619 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -92.14 142.34 15.99 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . 0.48 ' CE3' ' O ' ' B' ' 187' ' ' GLN . 9.9 t90 -148.82 140.52 23.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 110.617 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . 0.48 ' O ' ' CE3' ' B' ' 186' ' ' TRP . 16.6 pt20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.898 ' CD1' ' N ' ' B' ' 203' ' ' LEU . 0.0 OUTLIER -86.09 142.26 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.461 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.771 ' HB2' ' HG2' ' B' ' 208' ' ' GLU . 75.9 m-20 -147.72 101.9 3.69 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -70.59 -2.82 11.38 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.629 2.22 . . . . 0.0 112.061 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -113.24 -39.0 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.483 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . 0.879 ' O ' ' HB3' ' B' ' 211' ' ' ARG . 0.8 OUTLIER -88.91 -33.57 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.771 ' HG2' ' HB2' ' B' ' 204' ' ' ASP . 69.2 mm-40 -76.51 -44.64 34.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -70.34 -48.34 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.637 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . 0.541 ' O ' HG22 ' B' ' 213' ' ' THR . 6.7 tm-20 -67.25 -43.37 82.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.456 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.879 ' HB3' ' O ' ' B' ' 207' ' ' LEU . 0.1 OUTLIER -64.13 -33.45 75.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.452 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . 0.621 ' N ' ' HG3' ' B' ' 211' ' ' ARG . 2.1 mt -69.24 -62.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.499 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 213' ' ' THR . . . . . 0.541 HG22 ' O ' ' B' ' 210' ' ' GLU . 6.2 t -45.02 -50.49 10.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . 0.428 ' N ' ' CG2' ' B' ' 213' ' ' THR . . . -57.68 -37.19 82.29 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.14 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.496 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.726 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.9 mp -54.24 -49.87 68.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 0.7 OUTLIER -50.66 -35.88 32.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.442 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.62 -38.22 48.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -85.77 -50.62 7.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.68 -49.34 73.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.562 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.591 ' C ' ' HE ' ' B' ' 225' ' ' ARG . 96.9 m-20 -63.0 -34.74 78.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.476 ' OE2' ' CZ ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -60.78 -43.16 98.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . 0.425 ' N ' ' HG2' ' B' ' 222' ' ' GLU . 24.5 m-85 -64.92 -45.87 84.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.655 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . 0.535 ' NH1' ' OD1' ' B' ' 221' ' ' ASN . 5.0 mtp180 -65.67 -37.53 86.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.478 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . 0.591 ' HE ' ' C ' ' B' ' 221' ' ' ASN . 80.3 mtm180 -71.72 -32.13 67.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 8.1 m-30 -64.91 -52.51 56.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.477 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 227' ' ' SER . . . . . 0.454 ' H ' ' HG ' ' B' ' 227' ' ' SER . 2.2 p -53.74 -50.44 65.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.457 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -40.44 75.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -71.91 -41.7 67.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.528 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' B' ' 234' ' ' ALA . 21.2 m-85 -69.62 -41.42 75.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.632 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -50.46 -33.5 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.471 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.62 -22.64 62.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -129.87 -65.65 0.11 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -51.27 164.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.486 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.519 HE21 ' HB3' ' B' ' 237' ' ' GLU . 8.7 pt20 -71.44 -176.62 1.58 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -72.94 -38.67 66.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.505 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.519 ' HB3' HE21 ' B' ' 235' ' ' GLN . 41.3 tt0 -47.18 -54.94 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.471 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -52.5 -61.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.613 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -50.99 -41.8 59.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.21 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . 0.471 ' HB ' ' O ' ' B' ' 238' ' ' THR . 5.8 mm -66.21 -66.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.504 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.574 ' O ' ' N ' ' B' ' 245' ' ' TYR . 11.1 m-85 -54.49 -60.83 2.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' B' ' 242' ' ' PHE . 63.9 t0 -35.33 -41.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.56 -41.27 84.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' B' ' 242' ' ' PHE . 19.5 m-30 -63.2 -48.17 79.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.575 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.9 -46.74 52.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.614 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -70.66 -34.01 71.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.537 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.598 ' HG ' ' N ' ' B' ' 249' ' ' LEU . 0.1 OUTLIER -69.12 -39.41 78.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . 0.598 ' N ' ' HG ' ' B' ' 248' ' ' LEU . 16.9 tp -75.88 -42.39 49.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.628 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 88.6 p -71.99 -14.22 61.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.799 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 44.9 p30 -51.89 133.32 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 71.0 p -60.55 -2.31 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.5 ' H ' ' C ' ' B' ' 251' ' ' ASP . 48.4 ttt85 -77.88 -49.36 14.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.537 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 2.1 tt -73.23 -45.73 54.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.558 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.428 HH21 ' HD2' ' B' ' 255' ' ' ARG . 9.3 ttm180 -57.45 -48.62 78.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -56.97 -43.09 81.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . 0.594 ' OE2' ' CZ ' ' B' ' 279' ' ' PHE . 27.4 mt-10 -56.61 -45.9 81.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 254' ' ' LEU . 80.2 mt -54.39 -60.98 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -57.24 -34.32 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.32 92.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -69.04 -40.45 78.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 64.4 t -66.83 -38.34 81.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -58.96 -17.16 22.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.527 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -93.22 -19.51 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.534 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 119.95 30.3 1.51 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 34.0 m -107.35 156.57 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.544 ' O ' ' HB2' ' B' ' 271' ' ' ALA . 0.2 OUTLIER -97.54 143.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' B' ' 269' ' ' GLU . . . -53.39 -59.1 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.541 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' B' ' 268' ' ' ALA . 2.5 mp0 -32.2 -50.41 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 -35.28 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.607 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' B' ' 267' ' ' VAL . . . -54.42 -46.44 73.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.539 ' O ' ' CG2' ' B' ' 276' ' ' ILE . 18.8 m -67.21 -30.77 50.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -74.64 -42.97 57.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 93.5 m -66.58 -52.26 47.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.61 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.483 HG22 ' O ' ' B' ' 271' ' ' ALA . 71.2 t -52.73 -58.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.572 HG13 ' N ' ' B' ' 277' ' ' GLU . 28.4 pt -56.18 -39.51 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.572 ' N ' HG13 ' B' ' 276' ' ' ILE . 43.3 tp10 -66.72 -38.23 86.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' B' ' 282' ' ' GLN . 5.2 ttpt -76.68 -22.07 54.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . 0.594 ' CZ ' ' OE2' ' B' ' 257' ' ' GLU . 0.6 OUTLIER -85.41 -34.8 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.622 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . 0.675 ' O ' ' CB ' ' B' ' 284' ' ' ALA . . . -72.76 -34.34 66.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.665 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' B' ' 285' ' ' ALA . 0.2 OUTLIER -78.58 -42.32 29.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . 0.517 ' HB3' ' CE2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -46.76 -56.2 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.528 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.644 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -79.01 -42.36 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.649 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . 0.702 ' HB1' ' CB ' ' B' ' 295' ' ' ALA . . . -61.27 6.94 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . 0.624 ' H ' ' C ' ' B' ' 283' ' ' PHE . . . -104.54 -3.49 23.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.428 ' O ' ' NZ ' ' B' ' 292' ' ' LYS . 0.2 OUTLIER -86.23 -167.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.653 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 78.2 p -109.28 -24.45 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.452 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.697 ' O ' ' HB2' ' B' ' 292' ' ' LYS . 4.1 m-20 -50.88 100.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.668 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -70.9 -43.03 69.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . 0.576 ' CD2' ' CD2' ' B' ' 291' ' ' LEU . 5.1 t80 -60.41 -31.51 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.436 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.58 ' O ' ' HB2' ' B' ' 294' ' ' ARG . 3.6 mm? -102.61 -34.49 9.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.697 ' HB2' ' O ' ' B' ' 288' ' ' ASP . 3.1 tttp -41.8 -52.98 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . 0.47 ' CD ' HE21 ' B' ' 356' ' ' GLN . 4.8 tt0 -43.27 -29.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.58 ' HB2' ' O ' ' B' ' 291' ' ' LEU . 9.4 tpp180 -40.24 -43.1 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.351 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . 0.702 ' CB ' ' HB1' ' B' ' 284' ' ' ALA . . . -57.59 -45.79 84.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.316 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -53.84 -45.39 70.28 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . 0.511 ' CG ' ' OH ' ' B' ' 245' ' ' TYR . 3.7 m-20 -62.71 -39.03 92.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 110.284 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . 0.444 ' N ' HD11 ' B' ' 298' ' ' LEU . 6.0 mp -60.29 -49.48 77.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.3 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -54.04 -44.82 71.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.216 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.22 90.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.173 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.85 -40.3 96.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.205 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.23 -41.86 99.62 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.34 -41.66 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.476 ' CZ ' ' OE2' ' B' ' 222' ' ' GLU . 1.5 mmm180 -68.55 -41.6 79.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.237 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.77 -39.74 84.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.296 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . 0.445 ' O ' HD21 ' B' ' 306' ' ' LEU . 2.4 tt -69.07 -38.73 79.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.399 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . 0.542 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.9 m-85 -68.88 -41.64 78.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.425 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . 0.476 ' C ' ' H ' ' B' ' 310' ' ' ASP . 42.2 m-70 -70.92 -28.38 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 9.4 tp -48.63 -13.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.524 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . 0.542 ' OD1' ' O ' ' B' ' 307' ' ' PHE . 0.0 OUTLIER -133.84 92.17 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' B' ' 310' ' ' ASP . 90.6 m-20 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.478 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.727 ' O ' ' HD1' ' B' ' 323' ' ' PHE . 20.7 mmm-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.727 ' HD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER -150.24 154.01 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.599 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . 0.449 HG23 HD11 ' B' ' 324' ' ' ILE . 56.4 mt -115.78 137.44 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.404 ' CD2' ' C ' ' B' ' 325' ' ' LEU . 6.9 tt -94.56 122.69 37.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.647 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 34.4 t -119.25 118.51 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -140.24 136.9 33.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 51.7 p30 -64.27 -20.48 66.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.471 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' B' ' 330' ' ' LEU . 13.3 tm-20 -138.74 138.29 37.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.529 ' O ' ' OE2' ' B' ' 329' ' ' GLU . 98.5 mt -82.78 118.86 23.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.4 122.07 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.425 ' N ' ' HB3' ' B' ' 357' ' ' ALA . . . -60.51 -41.88 95.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 1.2 t -52.89 -33.57 50.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.61 -50.18 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.563 ' C ' ' H ' ' B' ' 337' ' ' GLU . 5.5 mp -61.42 -23.15 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.602 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.41 11.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.563 ' H ' ' C ' ' B' ' 335' ' ' LEU . 39.5 mt-10 -106.74 -34.23 7.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.651 ' N ' ' CD2' ' B' ' 338' ' ' LEU . 2.7 mm? -104.73 141.74 23.18 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.77 162.18 41.85 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.753 2.302 . . . . 0.0 112.157 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -70.64 -16.16 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.35 -39.75 64.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -25.63 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.566 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 90.4 mt -79.19 102.72 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 1.1 m -116.03 4.15 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 177.94 151.35 9.25 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 69.1 t -135.36 145.52 31.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.341 . . . . 0.0 110.6 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 61.9 t -147.13 120.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 0.4 OUTLIER -119.26 153.03 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.512 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . 0.41 ' N ' HG21 ' B' ' 348' ' ' VAL . 36.9 ttm-85 -86.25 -42.33 13.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.537 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.427 ' CG ' ' H ' ' B' ' 351' ' ' GLY . 5.3 p-10 -133.53 -116.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.548 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . 0.427 ' H ' ' CG ' ' B' ' 350' ' ' ASP . . . 64.3 160.24 0.39 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -69.2 153.42 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.11 -11.1 55.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -131.56 47.25 2.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 5.3 p -85.51 165.73 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . 0.47 HE21 ' CD ' ' B' ' 293' ' ' GLU . 16.0 pt20 -54.88 -37.47 66.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . 0.425 ' HB3' ' N ' ' B' ' 332' ' ' ALA . . . -77.88 -33.73 51.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.636 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.96 99.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.576 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 8.9 tt -73.74 -24.89 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.494 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 12.0 ttt -70.19 -48.28 57.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 46.1 t -66.48 -44.35 90.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.53 ' HG2' ' N ' ' B' ' 363' ' ' ALA . 0.0 OUTLIER -60.98 -46.43 90.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.628 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.53 ' N ' ' HG2' ' B' ' 362' ' ' ARG . . . -66.27 -29.25 69.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.581 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -26.8 67.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.507 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.49 22.14 24.99 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . 0.887 HG22 ' HD2' ' B' ' 367' ' ' PRO . 1.3 mm -104.35 143.22 26.25 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . 0.887 ' HD2' HG22 ' B' ' 366' ' ' ILE . 50.3 Cg_endo -72.65 131.09 16.76 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.892 2.395 . . . . 0.0 112.083 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 69.6 m -144.74 147.95 33.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.52 148.64 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.467 ' O ' ' CB ' ' B' ' 173' ' ' ALA . 0.1 OUTLIER -126.6 167.11 16.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 92.47 -1.14 72.04 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -54.95 114.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' B' ' 373' ' ' ASP . 25.6 p-10 -83.66 27.36 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 25.5 mm -112.23 126.25 69.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -83.5 131.97 51.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.7 -28.24 9.15 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.858 2.372 . . . . 0.0 112.002 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 37.7 t -52.21 -48.8 64.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 3.5 t -88.71 27.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.649 ' O ' ' C ' ' B' ' 380' ' ' HIS . 96.9 mt -124.94 -19.67 5.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.565 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.721 ' CD2' ' H ' ' B' ' 381' ' ' ARG . 2.5 p-80 15.66 -85.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.721 ' H ' ' CD2' ' B' ' 380' ' ' HIS . 0.1 OUTLIER -140.85 24.29 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.683 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.76 168.52 4.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 1.7 m -78.47 129.14 34.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.572 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 5.1 mt -119.82 136.51 54.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.592 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 96.7 mt -136.58 110.75 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.532 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 18.8 m -124.79 158.59 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.629 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.5 t0 -138.37 108.84 6.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -54.95 -37.25 62.04 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -60.14 -50.65 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . 0.523 ' CZ ' HH12 ' B' ' 172' ' ' ARG . 15.6 mmm180 -88.49 -8.14 55.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.582 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 47.23 49.87 18.13 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . 0.722 ' OE1' ' N ' ' B' ' 392' ' ' GLU . 1.5 pm0 -133.26 164.34 27.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.658 0.266 . . . . 0.0 110.659 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . 0.819 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 0.0 OUTLIER -126.22 130.83 51.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.516 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 6.9 mp -108.53 150.16 27.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.621 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.903 ' O ' ' OD1' ' B' ' 396' ' ' ASP . 15.0 p -123.74 102.59 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.502 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.903 ' OD1' ' O ' ' B' ' 395' ' ' VAL . 11.3 p30 29.93 50.1 0.37 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.656 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.3 Cg_endo . . . . . 0 C--N 1.305 -1.72 0 C-N-CA 122.764 2.309 . . . . 0.0 112.23 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.641 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.7 p -82.92 158.19 22.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.661 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -132.43 117.83 33.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 6.1 pttp -125.62 173.17 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -162.73 133.58 4.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.46 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.427 ' CG2' ' CD ' ' A' ' 62' ' ' GLN . 24.7 m -78.74 129.42 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.652 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.4 t -130.3 123.67 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.436 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -80.13 127.89 32.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.459 HD11 HG23 ' A' ' 9' ' ' ILE . 89.9 mt -91.22 105.43 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.535 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 1.187 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 88.6 m -83.59 58.01 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 1.187 ' OD1' ' O ' ' A' ' 10' ' ' THR . 24.1 p30 61.97 24.36 14.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' ' 14' ' ' GLY . 1.1 mmtm -164.8 99.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.522 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.65 ' H ' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -64.45 -3.71 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.46 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 16' ' ' HIS . . . 145.29 -144.45 13.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.507 ' HE3' ' HG2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -64.36 3.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 110.515 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.649 ' NE2' ' CE2' ' B' ' 290' ' ' TYR . 5.5 t-160 75.44 106.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.775 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 67.99 -59.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.71 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.4 mpt_? -34.05 -46.43 0.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.775 ' HD2' ' C ' ' A' ' 17' ' ' ALA . 37.0 Cg_endo -68.95 -38.16 10.06 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.692 2.262 . . . . 0.0 112.115 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.564 ' CB ' HD11 ' A' ' 52' ' ' LEU . . . -71.89 -39.95 69.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 21' ' ' MET . 15.9 tmm? -72.91 -38.12 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -64.24 -36.54 84.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.28 -44.18 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -39.35 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -73.78 -35.14 64.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.704 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.888 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 6.1 mp -67.89 -41.25 83.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.811 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 51.9 ttm -58.12 -29.26 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.616 HE22 ' CE1' ' B' ' 247' ' ' HIS . 61.1 mt-30 -86.45 -28.12 23.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.08 -24.12 42.23 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.888 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 2.0 p90 -120.9 138.78 53.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.717 0.294 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 3.2 m-20 -80.19 110.65 15.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.746 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.17 148.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.512 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -98.63 127.46 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' O ' HD22 ' A' ' 35' ' ' LEU . 55.6 t -105.68 134.01 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.487 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD22 ' O ' ' A' ' 34' ' ' VAL . 67.9 mt -135.43 136.94 41.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.67 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mp -107.25 150.62 26.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -147.84 134.44 19.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.4 156.56 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.42 -27.64 25.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.51 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 10.8 mm-40 -68.15 -10.45 54.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.94 12.13 59.42 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -84.75 116.68 23.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -77.55 103.93 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.14 65.12 6.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.633 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -40.62 121.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.658 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.28 -9.55 12.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.476 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -99.88 28.54 4.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.11 123.61 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.521 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.7 p -63.74 -35.54 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.532 ' O ' HD23 ' A' ' 53' ' ' LEU . 20.4 tt -61.45 -36.28 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.637 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.08 -43.3 87.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.564 HD11 ' CB ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -58.2 -37.84 75.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.599 ' CD1' ' O ' ' B' ' 283' ' ' PHE . 0.0 OUTLIER -65.62 -35.45 80.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.534 ' N ' HD23 ' A' ' 53' ' ' LEU . 1.7 tmt? -69.54 -35.64 75.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.74 -36.37 83.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.625 ' OD1' ' OD2' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -52.06 -35.38 47.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.9 p -76.07 -6.35 50.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.448 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.34 28.84 0.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -68.93 97.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.05 6.04 40.14 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.51 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -107.12 163.6 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.743 0.306 . . . . 0.0 110.561 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.427 ' CD ' ' CG2' ' A' ' 6' ' ' THR . 38.4 tt0 -96.58 144.34 26.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.1 pt -131.59 161.93 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.49 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 29.2 mt-10 -123.38 101.56 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 21.9 t -81.75 126.71 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -119.25 139.35 52.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.22 130.59 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.8 m -123.78 129.61 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.545 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.801 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.53 161.45 8.73 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -46.66 -46.12 18.5 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.791 2.327 . . . . 0.0 112.109 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -92.42 5.62 50.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.515 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.801 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 5.2 pm0 -36.18 -37.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.63 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 20.3 pt-20 -63.85 -49.84 71.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 55.9 tt0 -56.4 -53.45 57.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.74 -49.82 67.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.682 ' O ' ' CG2' ' A' ' 80' ' ' ILE . 56.7 tp -64.51 -44.6 90.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.881 ' O ' HG12 ' A' ' 80' ' ' ILE . . . -61.9 -42.74 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.43 98.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.96 -43.16 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.631 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.881 HG12 ' O ' ' A' ' 77' ' ' ALA . 5.3 pt -64.0 -41.33 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.553 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.505 ' N ' ' CG1' ' A' ' 80' ' ' ILE . . . -63.85 -36.6 84.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -35.56 66.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.573 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.9 m-85 -71.72 -32.74 68.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.487 ' O ' ' HB3' ' A' ' 85' ' ' SER . 86.5 m-20 -82.53 -3.33 55.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.593 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 84' ' ' ASN . 9.4 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 4.3 mp -113.97 128.24 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -84.08 108.85 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.528 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' B' ' 391' ' ' GLY . . . -110.77 159.92 17.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.3 116.46 57.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.79 110.75 3.09 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.791 2.327 . . . . 0.0 112.185 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -86.41 -33.01 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.527 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.28 115.17 3.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.6 156.05 1.25 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.855 2.37 . . . . 0.0 112.144 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 123.33 164.72 12.13 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.2 m -120.95 133.5 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.544 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -124.0 131.98 53.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . 0.445 ' N ' ' CD1' ' B' ' 182' ' ' ILE . 0.0 OUTLIER -124.45 121.28 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.456 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 177.71 177.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -84.19 168.87 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.584 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.52 149.66 19.18 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -149.66 154.31 38.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.57 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.603 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.785 0.326 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.38 127.06 34.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.791 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 11.1 p-10 -153.93 98.0 2.63 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.547 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 34.6 Cg_endo -67.9 -37.22 15.98 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.745 2.297 . . . . 0.0 112.055 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.35 89.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.496 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.8 -37.9 12.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.455 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.791 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 67.0 mm-40 -70.9 -58.66 3.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . 0.651 HH22 HH22 ' B' ' 256' ' ' ARG . 0.0 OUTLIER -52.79 -48.99 66.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.487 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . 0.485 ' O ' HG23 ' B' ' 213' ' ' THR . 82.8 tt0 -62.33 -36.37 81.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.498 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.656 ' CB ' HH21 ' B' ' 211' ' ' ARG . 0.0 OUTLIER -59.1 -39.86 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . 0.515 ' O ' HD23 ' B' ' 216' ' ' LEU . 19.4 tp -66.51 -59.93 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.488 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 213' ' ' THR . . . . . 0.604 ' CG2' ' N ' ' B' ' 214' ' ' GLY . 0.6 OUTLIER -47.66 -46.53 29.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . 0.604 ' N ' ' CG2' ' B' ' 213' ' ' THR . . . -66.12 -36.45 91.9 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.64 -41.9 68.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.544 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' B' ' 220' ' ' ALA . 3.0 mm? -59.69 -44.89 93.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 63.4 mm-40 -59.34 -34.62 72.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -77.1 -30.85 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.444 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -93.79 -48.5 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.705 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -57.3 -49.75 75.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 88.7 m-20 -64.65 -31.88 73.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.64 ' HG2' ' CE1' ' B' ' 226' ' ' TYR . 1.0 OUTLIER -78.65 -26.47 45.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . 0.576 ' CE2' ' CE2' ' B' ' 242' ' ' PHE . 0.2 OUTLIER -77.88 -36.36 49.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.491 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . 0.571 ' CZ ' HH22 ' B' ' 225' ' ' ARG . 53.2 mtp180 -72.68 -45.06 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . 0.571 HH22 ' CZ ' ' B' ' 224' ' ' ARG . 3.0 mpt_? -74.33 -22.43 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.64 ' CE1' ' HG2' ' B' ' 222' ' ' GLU . 2.0 m-85 -72.37 -52.29 16.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 227' ' ' SER . . . . . 0.739 ' HB3' ' CD2' ' B' ' 242' ' ' PHE . 9.8 p -73.29 -34.58 65.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.52 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' B' ' 224' ' ' ARG . 3.8 mtpp -58.15 -53.22 60.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' B' ' 226' ' ' TYR . 8.5 ptm180 -67.17 -38.0 84.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.543 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' B' ' 234' ' ' ALA . 0.6 OUTLIER -58.29 -47.17 84.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.63 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -53.58 -37.09 62.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.445 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.11 -20.3 16.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.518 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -125.25 -53.54 0.17 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -65.46 -166.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.63 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.682 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 4.4 tt0 -88.66 163.6 15.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . 0.682 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 3.8 tttt -64.16 -22.22 66.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -54.14 -44.56 71.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 238' ' ' THR . . . . . . . . . . . . . 26.9 m -57.04 -57.91 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' B' ' 243' ' ' ASP . . . -56.4 -43.6 79.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . 0.437 ' CB ' ' NH1' ' A' ' 18' ' ' ARG . . . -59.15 -45.8 90.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.553 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . 0.715 HG21 ' N ' ' B' ' 242' ' ' PHE . 1.6 tp -72.32 -53.32 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.739 ' CD2' ' HB3' ' B' ' 227' ' ' SER . 0.4 OUTLIER -59.88 -57.76 11.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' B' ' 239' ' ' ALA . 33.8 t70 -40.19 -35.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.421 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -43.44 61.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.609 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.545 ' HH ' ' CB ' ' B' ' 297' ' ' ASP . 32.1 m-85 -65.78 -46.74 77.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 70.4 p -50.16 -42.12 50.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.616 ' CE1' HE22 ' A' ' 28' ' ' GLN . 0.5 OUTLIER -75.64 -28.75 58.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 0.2 OUTLIER -78.53 -50.39 11.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.615 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 40.1 tp -57.13 -47.72 80.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 250' ' ' SER . . . . . 0.585 ' O ' ' NH2' ' B' ' 255' ' ' ARG . 98.9 p -78.56 -9.01 59.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.586 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.555 ' C ' ' H ' ' B' ' 253' ' ' ARG . 67.7 t0 -48.03 121.99 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.606 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 72.0 p -53.14 -5.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.555 ' H ' ' C ' ' B' ' 251' ' ' ASP . 13.1 ttp180 -80.25 -49.71 11.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.44 -44.98 96.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.585 ' NH2' ' O ' ' B' ' 250' ' ' SER . 89.1 mtm-85 -59.52 -44.83 93.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . 0.651 HH22 HH22 ' B' ' 209' ' ' ARG . 0.0 OUTLIER -58.37 -38.85 78.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.07 -49.41 77.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.22 -49.11 78.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.678 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.09 -35.52 73.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.573 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.81 98.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -67.06 -42.16 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.53 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 58.8 t -66.87 -35.42 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.452 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.41 -17.73 14.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.519 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -90.67 -20.23 22.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.608 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 121.17 24.83 2.37 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 44.4 t -104.11 162.67 12.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.852 0.358 . . . . 0.0 110.568 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.19 144.0 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.565 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' B' ' 271' ' ' ALA . . . -57.67 -54.8 42.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.583 ' CD ' ' H ' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -34.18 -57.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.473 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . 0.505 ' O ' ' HG3' ' B' ' 273' ' ' LYS . 32.4 m0 -69.67 -29.9 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.537 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' B' ' 268' ' ' ALA . . . -70.8 -36.25 72.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.573 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.418 ' O ' ' HB ' ' B' ' 276' ' ' ILE . 49.7 t -60.75 -43.08 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.571 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . 0.598 ' HZ2' ' CB ' ' B' ' 273' ' ' LYS . 0.0 OUTLIER -80.03 -39.34 30.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 274' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 270' ' ' TRP . 99.1 m -60.28 -54.21 48.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.587 HG23 ' H ' ' B' ' 276' ' ' ILE . 35.2 m -59.16 -42.94 88.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.596 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.587 ' H ' HG23 ' B' ' 275' ' ' VAL . 0.9 OUTLIER -67.48 -46.01 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.532 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 73.8 mm-40 -65.62 -40.53 92.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' B' ' 282' ' ' GLN . 0.0 OUTLIER -63.22 -36.62 84.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -83.11 -13.37 55.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . 0.611 ' O ' ' CB ' ' B' ' 284' ' ' ALA . . . -71.29 -37.72 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.532 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 6.6 pm0 -96.83 -28.62 14.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' B' ' 278' ' ' LYS . 18.6 tt0 -61.18 -51.68 67.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -82.74 -30.24 29.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.596 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . 0.611 ' CB ' ' O ' ' B' ' 280' ' ' ALA . . . -81.65 2.32 30.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -80.42 -2.64 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.431 ' O ' ' NZ ' ' B' ' 292' ' ' LYS . 2.0 mm? -76.78 -172.76 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.48 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 78.4 p -109.88 -25.23 10.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.603 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.625 ' OD2' ' OD1' ' A' ' 56' ' ' ASP . 52.4 t0 -64.19 122.81 17.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.576 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -73.97 -29.42 61.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . 0.649 ' CE2' ' NE2' ' A' ' 16' ' ' HIS . 18.2 t80 -51.22 -42.83 61.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.583 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' B' ' 294' ' ' ARG . 0.1 OUTLIER -93.55 -54.32 3.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.496 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' B' ' 295' ' ' ALA . 17.6 ttmm -39.29 -40.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.32 -38.68 90.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' B' ' 291' ' ' LEU . 1.0 OUTLIER -46.58 -24.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.534 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' B' ' 292' ' ' LYS . . . -41.03 -49.28 3.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -49.76 -43.18 38.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . 0.545 ' CB ' ' HH ' ' B' ' 245' ' ' TYR . 54.5 m-20 -65.3 -44.91 86.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.756 0.312 . . . . 0.0 110.448 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.91 -49.9 74.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.448 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 47.3 mtt85 -56.1 -38.51 70.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . 0.457 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -60.19 -41.02 92.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.291 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 71.6 mt -58.26 -44.54 88.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.349 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.68 98.87 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -65.02 -37.49 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.393 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.488 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 5.1 mmm180 -71.09 -40.63 71.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.355 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' B' ' 309' ' ' LEU . 43.6 mt -59.92 -42.3 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.316 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -39.39 94.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.79 -46.94 79.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.441 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -75.93 -21.78 56.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.432 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 0.8 OUTLIER -83.61 -15.3 49.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.455 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -129.01 90.42 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.588 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.654 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 15.9 ptt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.83 0.347 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 90.9 m-85 -155.67 167.1 31.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.61 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 34.1 mt -114.72 143.17 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.57 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.614 ' CD1' HH11 ' B' ' 342' ' ' ARG . 1.2 mp -81.93 114.75 20.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 11.7 t -121.25 89.93 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -132.29 154.06 50.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.574 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 14.7 p-10 -67.4 -30.9 70.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -134.8 120.67 19.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.9 tp -103.64 131.66 50.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.5 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 4.2 m -144.06 160.62 40.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -51.2 -38.74 54.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 333' ' ' THR . . . . . 0.521 HG21 ' H ' ' B' ' 334' ' ' THR . 10.2 t -53.09 -47.21 68.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 334' ' ' THR . . . . . 0.521 ' H ' HG21 ' B' ' 333' ' ' THR . 89.6 m -60.47 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.513 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.6 OUTLIER -57.64 -42.96 84.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -64.23 -3.23 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' B' ' 335' ' ' LEU . 31.5 tt0 -97.43 -40.48 8.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' B' ' 338' ' ' LEU . 3.7 mm? -103.82 146.58 32.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.483 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . 0.585 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 51.3 Cg_endo -72.97 138.41 28.33 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.777 2.318 . . . . 0.0 112.187 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -28.3 70.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.786 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 15.5 p30 -60.51 -43.93 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.592 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.786 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 0.1 OUTLIER -77.35 -18.95 56.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.589 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.491 ' N ' ' HG3' ' B' ' 342' ' ' ARG . 3.9 tp -72.53 115.85 12.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.526 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 46.9 t -114.86 1.47 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 171.76 169.33 34.46 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 62.0 t -139.79 139.05 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 98.6 t -137.26 124.2 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.481 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 370' ' ' MET . 3.4 t -123.69 148.67 27.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -85.44 -38.21 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.498 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' B' ' 350' ' ' ASP . 1.1 p30 -166.69 115.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.552 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . 0.901 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . 154.78 -71.73 0.27 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . 0.901 ' O ' ' O ' ' B' ' 351' ' ' GLY . . . -32.08 179.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.363 . . . . 0.0 110.507 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . 0.52 ' H ' ' HB1' ' B' ' 358' ' ' ALA . . . 80.07 -45.69 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.553 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -131.74 36.74 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 1.1 m -120.01 148.49 43.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 14.8 pt20 -48.71 -43.77 37.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . 0.451 ' O ' HG22 ' B' ' 361' ' ' VAL . . . -67.85 -39.05 83.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . 0.52 ' HB1' ' H ' ' B' ' 353' ' ' ALA . . . -53.07 -40.02 63.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 73.0 mt -70.94 -30.81 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -69.5 -51.95 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . 0.642 HG21 ' H ' ' B' ' 362' ' ' ARG . 5.5 m -64.88 -46.77 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.485 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.642 ' H ' HG21 ' B' ' 361' ' ' VAL . 8.0 ttp180 -59.16 -47.45 85.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.549 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.87 -22.77 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.656 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.7 mp -76.73 -24.8 53.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.552 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.08 24.19 23.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . 0.457 HG21 HD13 ' B' ' 366' ' ' ILE . 24.7 mm -101.77 123.75 42.88 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.66 126.19 12.18 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.706 2.271 . . . . 0.0 112.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 93.4 m -138.19 139.92 39.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 72.3 t -143.43 145.33 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.49 ' HA ' ' O ' ' B' ' 348' ' ' VAL . 19.0 ptm -136.17 168.3 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 111.25 2.9 27.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -70.85 113.02 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.483 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -102.68 33.3 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . 0.434 HD12 ' H ' ' B' ' 375' ' ' GLN . 6.4 tp -116.51 141.17 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 3.5 mp0 -67.98 116.51 39.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.458 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -47.69 -17.39 0.69 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.822 2.348 . . . . 0.0 112.2 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 30.5 t -55.7 -46.1 77.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.474 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 65.5 t -60.21 -41.08 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' B' ' 381' ' ' ARG . 2.3 mm? -73.19 -43.7 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.584 ' O ' ' O ' ' B' ' 185' ' ' GLY . 4.4 t60 36.94 -90.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.483 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' B' ' 379' ' ' LEU . 4.9 ptm180 -127.53 25.67 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.508 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.8 OUTLIER -78.1 170.62 16.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.5 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 383' ' ' THR . . . . . 0.491 ' OG1' ' HB3' ' B' ' 396' ' ' ASP . 7.2 p -74.04 129.91 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.603 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 30.7 mt -118.01 135.04 54.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.485 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 86.9 mt -124.95 94.53 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.728 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.89 146.05 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.8 t0 -133.77 79.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.637 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -47.22 -44.89 20.79 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -45.55 -47.67 14.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.604 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.4 7.35 22.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 44.12 52.21 7.08 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -120.05 152.91 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.565 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 6.0 tt -128.62 120.5 26.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.542 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 3.6 mp -117.03 160.21 21.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.617 ' O ' ' C ' ' B' ' 396' ' ' ASP . 62.9 t -121.87 108.53 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' B' ' 395' ' ' VAL . 2.1 p30 19.22 57.09 0.2 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.494 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.597 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.5 Cg_endo . . . . . 0 C--N 1.305 -1.711 0 C-N-CA 122.868 2.379 . . . . 0.0 112.207 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ptm . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 3' ' ' VAL . 4.2 m -82.42 159.59 22.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.572 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.624 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -133.54 118.39 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.511 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 4.1 pttt -125.4 172.23 9.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -160.6 135.59 7.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.431 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 127.32 33.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.68 125.99 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -81.52 127.28 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.3 mm -89.77 104.95 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 p -83.1 59.16 4.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 61.33 23.45 13.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HZ3' ' CB ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.98 103.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.431 HD13 ' HG2' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -66.81 -2.86 5.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.512 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.92 -96.78 0.17 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.57 ' O ' ' N ' ' A' ' 17' ' ' ALA . 31.9 mtt -136.31 104.31 5.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.65 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 49.61 -84.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.529 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.786 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . -157.49 5.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.444 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.876 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -57.09 -35.31 34.02 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.678 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.876 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 30.4 Cg_endo -66.5 -39.65 15.94 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.701 2.267 . . . . 0.0 112.049 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.561 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -72.72 -36.49 67.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.811 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -75.81 -39.69 56.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.456 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -62.18 -37.2 84.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.65 -44.17 47.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.664 ' CZ ' ' CE1' ' B' ' 247' ' ' HIS . 0.7 OUTLIER -58.06 -37.98 75.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.576 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.52 -33.49 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.621 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.928 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 1.4 mm? -69.95 -39.9 75.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.687 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.812 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 5.4 ttt -60.66 -27.54 67.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -86.52 -28.01 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.03 -23.05 39.48 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.928 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.7 p90 -120.46 136.2 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.601 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 65.7 t0 -77.57 111.56 13.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.503 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.775 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 153.83 147.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -98.36 129.55 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.575 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -106.26 134.81 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.476 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.9 135.62 39.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.609 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 1.9 mm? -105.94 151.69 24.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.499 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.423 ' C ' HD21 ' A' ' 38' ' ' ASN . 39.2 ttm180 -149.36 133.62 17.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.712 ' N ' HD21 ' A' ' 38' ' ' ASN . 0.4 OUTLIER -89.91 156.83 18.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.13 -29.11 29.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -65.98 -11.39 47.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.529 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.88 11.18 59.24 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.5 m -84.02 117.55 23.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 110.63 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -78.25 103.39 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.41 65.47 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.615 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.534 ' HB3' HD21 ' A' ' 47' ' ' ASN . 91.4 mt-10 -40.94 121.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.77 -9.69 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.546 ' O ' ' CG ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -99.98 27.4 5.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.64 123.07 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.659 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.614 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 98.5 t -63.56 -35.54 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 tt -61.79 -35.78 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -41.78 85.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.56 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.561 HD12 ' HB1' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.69 -39.84 81.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.543 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 49' ' ' VAL . 0.4 OUTLIER -64.04 -36.21 83.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.1 tpp -67.84 -36.78 80.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.607 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.407 HD22 ' ND2' ' A' ' 38' ' ' ASN . 14.8 mt -63.8 -35.17 79.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.3 -34.69 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -76.69 -6.44 52.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.84 27.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -67.83 97.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.21 5.22 40.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -105.82 164.45 11.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -98.25 142.94 29.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.605 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.32 161.52 40.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.538 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.627 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 4.5 tm-20 -123.21 103.02 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.533 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 2.3 m -82.38 127.51 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -119.56 138.42 53.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.16 130.7 31.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.48 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.0 m -123.84 129.64 51.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.648 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.75 161.03 8.56 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -46.5 -45.96 18.32 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.845 2.364 . . . . 0.0 112.088 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' GLU . 60.0 mt-30 -92.77 6.33 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.648 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -36.37 -37.93 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.603 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.535 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 7.2 tp10 -63.5 -50.27 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.6 tm-20 -55.64 -52.8 62.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.593 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.55 -49.95 69.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 76' ' ' LEU . 2.3 tp -64.24 -44.28 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.91 99.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.601 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.49 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.94 -41.92 88.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -64.82 -41.1 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.605 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.469 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -64.22 -37.06 86.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.482 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 82' ' ' LEU . 5.2 mp -72.52 -36.94 68.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.544 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -69.95 -32.91 71.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.628 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 85' ' ' SER . 60.8 m-80 -82.51 -3.6 56.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . 0.488 ' O ' ' OE1' ' B' ' 392' ' ' GLU . 1.7 mp -110.45 134.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.5 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.532 ' CZ ' ' OE2' ' B' ' 392' ' ' GLU . 9.8 mmt180 -68.46 134.86 50.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -146.08 143.7 29.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.404 HD13 ' N ' ' B' ' 174' ' ' LEU . 8.4 mp -80.48 118.55 72.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -72.51 106.41 2.08 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.786 2.324 . . . . 0.0 112.141 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -82.97 -27.41 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' B' ' 366' ' ' ILE . . . -147.01 106.29 3.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.574 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.34 134.64 20.14 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.873 2.382 . . . . 0.0 112.138 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 143.53 165.91 11.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 4.9 m -121.42 139.37 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -144.43 142.13 30.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 3.3 mp -126.55 126.76 69.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -173.77 171.14 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -82.74 162.66 21.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -83.76 130.96 10.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -127.84 132.85 49.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.741 0.305 . . . . 0.0 110.541 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.606 179.899 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.788 0.328 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.445 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 0.5 OUTLIER -59.64 125.01 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.629 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.83 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 61.3 m-20 -156.87 68.38 4.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.603 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . 0.631 ' O ' ' N ' ' B' ' 209' ' ' ARG . 45.8 Cg_endo -72.06 -50.92 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.802 2.335 . . . . 0.0 112.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -50.65 -49.55 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.502 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 20.1 mt -80.03 -37.37 34.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.467 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.83 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 73.4 mm-40 -75.21 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.569 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . 0.631 ' N ' ' O ' ' B' ' 205' ' ' PRO . 0.0 OUTLIER -44.66 -52.46 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.475 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.08 -39.19 85.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.445 HH21 ' HB3' ' B' ' 211' ' ' ARG . 0.0 OUTLIER -53.63 -38.04 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.06 -53.85 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 27.3 m -54.56 -53.58 52.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.51 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.9 -36.55 88.13 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.52 -41.54 65.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 110.491 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.659 ' O ' ' N ' ' B' ' 220' ' ' ALA . 2.4 tt -55.48 -53.45 56.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.595 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 79.6 mm-40 -52.57 -34.74 51.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.501 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . 0.468 ' O ' ' CD ' ' B' ' 218' ' ' GLU . 0.5 OUTLIER -76.24 -35.34 59.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.18 -51.09 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.659 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.95 -50.68 70.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.459 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.595 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 97.1 m-20 -62.19 -36.38 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.57 ' CD ' HH11 ' B' ' 304' ' ' ARG . 3.0 tt0 -68.37 -40.01 81.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -70.25 -47.66 60.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -59.1 -43.2 91.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.465 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' B' ' 221' ' ' ASN . 6.6 mpt_? -69.7 -34.69 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -49.27 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 227' ' ' SER . . . . . 0.679 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 5.8 p -70.43 -49.59 47.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.549 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -44.62 -29.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.553 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.13 -39.37 25.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.47 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' B' ' 233' ' ' GLY . 3.0 m-85 -56.15 -40.18 73.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.589 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -45.27 -35.41 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -69.34 -23.21 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . 1.021 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -126.79 -101.66 1.19 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 1.021 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -6.21 -133.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.474 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.62 ' HG3' ' HG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -130.47 -166.44 1.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.48 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . 0.451 ' O ' ' HB1' ' B' ' 240' ' ' ALA . 60.6 tttp -82.45 -36.39 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' B' ' 241' ' ' ILE . 12.4 tm-20 -67.12 -46.96 72.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.62 ' HG1' ' HG3' ' B' ' 235' ' ' GLN . 6.1 p -58.25 -39.01 78.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.65 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -82.97 -34.39 26.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' B' ' 236' ' ' LYS . . . -76.58 -30.85 57.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.536 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . 0.835 ' CG2' ' H ' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -68.82 -65.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.591 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.835 ' H ' ' CG2' ' B' ' 241' ' ' ILE . 27.9 m-85 -54.62 -67.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' B' ' 242' ' ' PHE . 21.8 t70 -32.17 -53.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.534 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.05 -34.78 77.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.551 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.62 ' N ' ' O ' ' B' ' 242' ' ' PHE . 6.5 t80 -65.7 -37.08 85.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 64.3 m -49.4 -39.64 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.64 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.664 ' CE1' ' CZ ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -61.2 -33.93 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.628 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.591 ' HB3' ' O ' ' B' ' 245' ' ' TYR . 0.1 OUTLIER -57.11 -41.51 79.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.68 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . 0.582 ' N ' ' CD2' ' B' ' 248' ' ' LEU . 16.4 tp -75.69 -39.09 58.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 250' ' ' SER . . . . . 0.59 ' HG ' ' HA ' ' B' ' 247' ' ' HIS . 95.6 p -68.93 -19.55 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.835 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 42.1 p-10 -50.21 120.0 4.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 26.7 p -52.42 3.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.591 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.714 ' H ' ' C ' ' B' ' 251' ' ' ASP . 0.1 OUTLIER -77.06 -54.52 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 23.8 mt -66.57 -37.04 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.602 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.515 ' NH1' ' CD1' ' B' ' 258' ' ' LEU . 0.0 OUTLIER -59.27 -46.08 89.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . 0.593 ' HA ' ' HE ' ' B' ' 256' ' ' ARG . 3.0 mmp_? -66.58 -40.48 88.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.67 -53.53 30.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.673 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . 0.515 ' CD1' ' NH1' ' B' ' 255' ' ' ARG . 1.1 mt -62.22 -47.55 83.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.672 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . 0.587 ' CD2' ' NH1' ' B' ' 256' ' ' ARG . 12.1 t80 -61.76 -35.13 77.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.693 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.52 98.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.697 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.52 -40.88 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 83.7 t -70.08 -35.31 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.24 -14.3 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -96.63 -17.5 20.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 123.71 16.49 3.35 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 46.7 t -92.45 160.83 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.502 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.42 HG11 ' N ' ' B' ' 268' ' ' ALA . 11.6 t -100.06 148.82 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . 0.42 ' N ' HG11 ' B' ' 267' ' ' VAL . . . -57.34 -45.21 84.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.524 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.62 -44.83 9.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.439 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.85 -39.52 16.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.533 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . . . . . . . . . . . -53.55 -45.86 70.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.605 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.52 ' O ' HG12 ' B' ' 276' ' ' ILE . 21.6 m -65.22 -37.12 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.582 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -68.99 -41.8 77.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 40.5 p -73.18 -50.36 22.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . . . . . . . . . 49.4 t -50.21 -59.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.52 HG12 ' O ' ' B' ' 272' ' ' VAL . 26.9 pt -54.99 -38.73 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.613 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.461 ' N ' HG13 ' B' ' 276' ' ' ILE . 31.8 tt0 -68.63 -39.79 80.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.665 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -69.87 -37.48 76.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 1.5 m-85 -75.12 -35.37 61.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.519 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.16 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.461 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.467 ' N ' ' OE1' ' B' ' 281' ' ' GLU . 0.0 OUTLIER -69.96 -55.55 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.14 -41.51 99.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 279' ' ' PHE . 3.2 m-85 -64.98 -46.29 82.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.603 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.43 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -56.28 -20.58 19.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.58 ' HG ' ' N ' ' B' ' 287' ' ' SER . 23.4 tp -51.9 154.06 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.436 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 287' ' ' SER . . . . . 0.58 ' N ' ' HG ' ' B' ' 286' ' ' LEU . 66.6 m -94.83 -41.83 9.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.705 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 0.3 OUTLIER -60.22 122.71 15.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.611 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -74.07 -27.49 60.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -59.02 -31.81 69.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.15 -40.69 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.538 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.705 ' CB ' ' O ' ' B' ' 288' ' ' ASP . 9.0 tttp -50.64 -46.74 58.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -40.87 69.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.433 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' B' ' 297' ' ' ASP . 0.7 OUTLIER -52.54 -27.67 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -44.59 -44.38 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.479 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -52.21 -38.98 49.92 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . 0.584 ' HB2' ' O ' ' B' ' 294' ' ' ARG . 0.1 OUTLIER -53.27 -42.16 66.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 0.0 110.421 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -49.24 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.414 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -43.18 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.337 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.89 84.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.309 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -38.2 90.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.42 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -57.35 -48.25 81.91 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . 0.773 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.8 OUTLIER -52.86 -39.94 63.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 0.0 110.501 179.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.773 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 10.3 mtp180 -69.11 -39.83 78.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.41 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . 0.484 ' O ' HD23 ' B' ' 309' ' ' LEU . 1.0 OUTLIER -64.33 -44.41 91.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.351 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . 0.46 HD22 ' N ' ' B' ' 306' ' ' LEU . 3.7 mm? -62.77 -38.43 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.364 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . 0.486 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.0 m-85 -70.71 -42.95 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 77.9 m-70 -71.3 -29.83 65.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.467 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . 0.484 HD23 ' O ' ' B' ' 305' ' ' LEU . 0.3 OUTLIER -45.27 -19.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' B' ' 307' ' ' PHE . 0.1 OUTLIER -122.24 115.52 22.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.533 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.736 0.303 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -173.22 167.79 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.541 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.51 150.36 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.463 ' O ' HG22 ' B' ' 347' ' ' VAL . 0.8 OUTLIER -89.58 113.95 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.553 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 23.1 t -114.72 102.31 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.629 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -139.23 148.98 43.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -29.72 70.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.515 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.77 135.98 35.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.781 ' CD2' ' H ' ' B' ' 330' ' ' LEU . 2.0 pt? -90.13 138.71 31.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 331' ' ' SER . . . . . 0.526 ' O ' ' OG1' ' B' ' 334' ' ' THR . 6.9 t -144.77 134.74 23.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.576 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.79 -38.13 66.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.12 -47.83 68.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.529 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 334' ' ' THR . . . . . 0.526 ' OG1' ' O ' ' B' ' 331' ' ' SER . 68.7 p -58.35 -48.47 80.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -41.91 72.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.615 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -75.98 8.88 2.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -106.77 -37.82 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.562 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.71 132.35 20.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.633 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.62 124.9 10.24 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.773 2.316 . . . . 0.0 112.119 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.81 -23.25 66.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -37.18 86.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -82.13 -9.56 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 22.2 tp -77.21 116.98 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.556 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.43 18.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . 0.412 ' O ' ' CG2' ' B' ' 346' ' ' VAL . . . 151.36 177.73 25.45 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' B' ' 345' ' ' GLY . 35.7 t -155.69 144.34 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.697 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . 0.463 HG22 ' O ' ' B' ' 325' ' ' LEU . 31.2 m -141.06 131.61 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.672 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . . . . . . . . . 28.4 t -120.59 152.54 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.611 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . 0.608 ' NE ' ' O ' ' B' ' 372' ' ' ALA . 7.4 mmm-85 -92.36 -43.9 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -139.99 93.07 2.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -142.38 155.9 25.9 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' B' ' 354' ' ' ASN . . . -104.36 142.66 34.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.711 0.291 . . . . 0.0 110.599 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.2 10.87 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' B' ' 352' ' ' ALA . 0.3 OUTLIER -120.55 9.42 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.594 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 355' ' ' SER . . . . . 0.456 ' OG ' ' CB ' ' B' ' 358' ' ' ALA . 89.7 p -74.94 169.3 18.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.704 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -62.41 -51.59 66.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.591 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . 0.47 ' O ' ' CG2' ' B' ' 361' ' ' VAL . . . -67.25 -36.85 82.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.553 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . 0.456 ' CB ' ' OG ' ' B' ' 355' ' ' SER . . . -59.74 -42.68 93.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.635 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.407 HG23 ' N ' ' B' ' 360' ' ' MET . 1.9 tt -68.67 -32.21 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.536 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 360' ' ' MET . . . . . 0.407 ' N ' HG23 ' B' ' 359' ' ' ILE . 0.0 OUTLIER -81.06 -29.9 34.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' B' ' 357' ' ' ALA . 91.4 t -66.65 -45.81 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.468 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.404 HH21 ' HD3' ' B' ' 362' ' ' ARG . 14.6 ttp-105 -65.55 -42.58 91.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.56 72.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.623 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 13.7 tp -65.07 -34.0 77.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.32 13.0 56.69 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . 0.979 HG13 ' HD2' ' B' ' 367' ' ' PRO . 3.4 tp -90.44 143.91 30.02 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . 0.979 ' HD2' HG13 ' B' ' 366' ' ' ILE . 54.5 Cg_endo -73.51 127.41 11.74 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.872 2.382 . . . . 0.0 112.146 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 67.3 m -147.39 150.8 35.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.36 151.07 21.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 370' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -133.18 164.25 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.486 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 105.43 0.38 40.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . 0.608 ' O ' ' NE ' ' B' ' 349' ' ' ARG . . . -67.52 117.95 10.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.754 0.311 . . . . 0.0 110.505 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.07 35.33 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . 0.407 HD12 HG21 ' B' ' 374' ' ' ILE . 16.9 mm -104.76 129.43 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.568 ' CD ' ' N ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -70.76 116.0 41.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.468 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . 0.528 ' HD3' ' NH2' ' B' ' 349' ' ' ARG . 51.7 Cg_exo -47.9 -34.05 21.36 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.875 2.383 . . . . 0.0 112.102 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 43.7 t -51.28 -45.08 61.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . 0.739 ' O ' ' CD2' ' B' ' 380' ' ' HIS . 61.7 t -77.22 -29.62 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.633 ' O ' ' C ' ' B' ' 380' ' ' HIS . 86.3 mt -70.99 -16.91 62.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.868 ' ND1' ' N ' ' B' ' 381' ' ' ARG . 10.1 p80 18.69 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.868 ' N ' ' ND1' ' B' ' 380' ' ' HIS . 6.9 ptp180 -135.06 24.15 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.88 159.32 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 31.7 m -77.18 131.35 38.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 95.8 mt -121.36 145.8 47.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' B' ' 385' ' ' ILE . 19.7 tt -142.08 106.89 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 2.5 m -100.61 156.45 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.404 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.648 ' O ' ' N ' ' B' ' 391' ' ' GLY . 64.6 t0 -140.64 83.65 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -44.12 -46.5 8.07 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -53.55 -44.76 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . 0.417 ' HB2' ' OD2' ' B' ' 387' ' ' ASP . 4.0 mtm180 -100.21 2.91 43.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 37.87 54.54 1.89 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . 0.532 ' OE2' ' CZ ' ' B' ' 172' ' ' ARG . 9.8 mm-40 -129.85 160.02 34.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.373 . . . . 0.0 110.599 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.94 116.14 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 1.9 mp -114.87 176.73 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.626 ' O ' ' C ' ' B' ' 396' ' ' ASP . 18.3 m -133.74 122.95 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' B' ' 395' ' ' VAL . 2.7 p30 19.31 56.05 0.18 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.528 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.619 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 42.7 Cg_endo . . . . . 0 C--N 1.305 -1.725 0 C-N-CA 122.869 2.379 . . . . 0.0 112.203 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.608 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.438 ' O ' ' HG2' ' A' ' 1' ' ' MET . 9.3 t -82.67 159.33 22.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.649 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.644 ' O ' HD11 ' A' ' 76' ' ' LEU . 62.0 t -133.29 120.79 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.459 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -127.85 172.96 10.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -162.39 132.73 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.8 m -78.73 128.91 34.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.714 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.5 t -129.59 124.46 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.461 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -81.06 127.26 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -90.13 105.93 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.0 p -83.41 56.99 3.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.0 m120 63.29 22.77 13.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.94 103.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.53 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.665 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 1.6 tp -65.63 -4.61 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.01 -71.19 0.3 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtt -169.26 103.99 0.37 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.807 0.337 . . . . 0.0 110.604 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 51.21 -104.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.21 -4.73 3.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.713 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 2.1 mpt_? -42.89 -58.97 3.36 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.573 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.713 ' HD3' ' HB2' ' A' ' 18' ' ' ARG . 50.4 Cg_exo -48.37 -49.69 13.85 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.878 2.386 . . . . 0.0 112.155 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.595 ' CB ' HD11 ' A' ' 52' ' ' LEU . . . -64.44 -45.15 88.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.504 ' C ' ' SD ' ' A' ' 21' ' ' MET . 12.5 tmm? -66.86 -40.46 87.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.609 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -63.26 -37.73 88.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -50.26 -44.94 53.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -38.3 72.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.643 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.16 -35.1 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD23 ' CE1' ' A' ' 30' ' ' PHE . 95.7 mt -68.19 -40.36 82.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.8 ttm -56.72 -33.21 66.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -81.44 -33.02 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.564 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.93 -35.33 31.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.615 ' CE1' HD23 ' A' ' 26' ' ' LEU . 8.0 m-85 -103.0 156.27 17.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.841 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 61.0 t0 -99.07 95.16 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.685 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 68' ' ' THR . . . 167.65 156.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.13 129.36 47.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.0 t -106.61 134.88 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.601 ' O ' ' OE1' ' A' ' 66' ' ' GLU . 3.1 mp -136.44 137.71 40.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.623 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 8.3 mp -108.76 150.48 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -148.01 134.43 19.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.416 HD21 ' NH2' ' A' ' 61' ' ' ARG . 1.1 t30 -90.33 155.94 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 52.1 p-10 -52.6 -27.56 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.7 OUTLIER -67.75 -10.14 50.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.32 11.98 60.41 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.5 m -85.13 117.07 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.575 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -77.74 103.5 7.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.6 65.17 6.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -40.41 121.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.81 -10.26 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -99.94 28.62 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -146.57 123.09 11.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.428 HG22 ' NH1' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -63.51 -35.47 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.515 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.45 -36.6 74.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.1 -42.31 89.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.595 HD11 ' CB ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -58.72 -39.17 80.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.677 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.11 -34.57 78.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.632 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.541 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 16.0 tpt -70.43 -35.13 73.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.478 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.07 -34.99 79.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.476 ' OD2' HD21 ' B' ' 291' ' ' LEU . 18.5 m-20 -53.44 -34.56 58.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.547 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.442 ' C ' HH11 ' A' ' 61' ' ' ARG . 63.1 m -76.43 -6.7 52.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.17 28.97 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -68.96 97.26 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.486 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.77 4.89 39.34 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.442 HH11 ' C ' ' A' ' 57' ' ' SER . 28.4 mtm180 -104.83 166.45 10.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.362 . . . . 0.0 110.551 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' CD ' ' N ' ' A' ' 62' ' ' GLN . 14.5 mm-40 -99.97 141.26 33.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.627 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.05 162.37 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.91 101.77 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.96 130.05 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.601 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 5.3 mp0 -121.77 140.0 52.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.38 131.09 27.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 87.0 m -121.82 142.17 50.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.525 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 132.15 -175.9 19.59 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.841 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 51.2 Cg_endo -73.13 -37.66 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.811 2.341 . . . . 0.0 112.146 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.499 ' NE2' ' HG2' ' A' ' 70' ' ' PRO . 3.2 mp0 -97.14 2.76 51.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.561 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.752 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 6.2 pm0 -34.88 -40.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.728 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 24.2 tp10 -59.67 -50.5 73.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.51 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' GLN . 31.0 tt0 -57.82 -52.32 65.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.636 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.05 -49.16 72.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.584 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.877 ' O ' HG11 ' A' ' 79' ' ' VAL . 0.8 OUTLIER -65.42 -43.59 90.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.71 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.864 ' O ' HG12 ' A' ' 80' ' ' ILE . . . -62.98 -41.73 99.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.65 99.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.877 HG11 ' O ' ' A' ' 76' ' ' LEU . 1.3 p -66.88 -43.16 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.864 HG12 ' O ' ' A' ' 77' ' ' ALA . 5.4 pt -64.21 -41.07 91.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.462 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.504 ' N ' ' CG1' ' A' ' 80' ' ' ILE . . . -64.7 -35.66 81.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 82' ' ' LEU . 5.0 mp -73.82 -37.27 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.473 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.665 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 11.0 m-30 -70.27 -32.87 70.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.74 ' OD1' ' O ' ' A' ' 80' ' ' ILE . 31.7 m120 -80.81 -7.54 59.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.546 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 13.3 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.589 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . 0.469 ' N ' ' HA ' ' B' ' 394' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 12.7 tt -133.83 153.2 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.546 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -96.71 120.08 36.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.626 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -120.43 159.55 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.488 ' O ' ' HG3' ' B' ' 370' ' ' MET . 3.9 mp -79.23 117.13 65.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.05 112.65 3.47 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.819 2.346 . . . . 0.0 112.099 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . 0.565 ' O ' ' NH2' ' B' ' 362' ' ' ARG . . . -91.96 -33.61 14.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -146.33 111.53 4.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.51 160.75 0.34 Allowed 'Trans proline' 0 C--N 1.303 -1.852 0 C-N-CA 123.002 2.468 . . . . 0.0 112.089 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 119.8 164.28 12.56 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.58 160.19 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -152.3 139.0 18.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 5.7 pt -133.56 121.85 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 173.92 177.47 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -76.54 161.99 28.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.64 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -100.83 144.35 16.61 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -129.2 139.55 51.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.438 -179.88 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.754 0.311 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.785 ' CD2' ' H ' ' B' ' 203' ' ' LEU . 1.0 OUTLIER -91.95 139.03 31.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.514 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.658 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -154.29 100.15 2.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 46.1 Cg_endo -72.06 -14.56 29.06 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.809 2.339 . . . . 0.0 111.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -91.12 -54.56 3.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 2.5 tt -71.04 -39.9 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.658 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 3.5 mm-40 -68.42 -50.63 51.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.601 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 32.0 ttm105 -53.67 -56.39 17.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.553 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -45.01 92.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.558 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.526 ' CZ ' HD23 ' B' ' 309' ' ' LEU . 0.6 OUTLIER -56.04 -44.34 78.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.47 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 65.8 mt -71.19 -54.67 10.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.492 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 54.2 m -53.62 -52.44 59.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.555 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -56.36 -35.47 65.96 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.63 -39.86 66.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.528 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' B' ' 220' ' ' ALA . 48.8 mt -57.69 -54.1 50.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 1.4 mp0 -50.99 -32.2 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.517 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.34 -31.25 60.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.556 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -95.13 -48.16 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.604 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.41 -52.19 65.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 88.1 m-20 -64.99 -33.33 75.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.554 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.534 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.6 OUTLIER -65.23 -37.52 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.619 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -47.1 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.529 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 33.6 ttm105 -61.08 -40.5 93.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' B' ' 229' ' ' ARG . 7.0 mtp180 -69.95 -36.27 75.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.463 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.618 ' CE1' ' NH1' ' B' ' 304' ' ' ARG . 0.1 OUTLIER -57.05 -47.66 80.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.589 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 1.4 p -61.82 -48.67 79.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.497 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -42.56 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' B' ' 225' ' ' ARG . 1.5 mtm180 -76.92 -47.53 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.562 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.24 -51.14 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.591 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -56.12 -38.15 70.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.82 -17.28 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.495 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . 0.996 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -131.6 -92.62 0.57 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.996 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -22.6 -125.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.793 0.33 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.582 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 5.9 tt0 -133.02 165.64 24.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.643 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . 0.582 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 49.5 tttt -63.8 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -45.13 -44.55 10.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.633 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.44 ' OG1' ' SD ' ' B' ' 360' ' ' MET . 28.9 m -57.94 -54.04 51.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -55.62 -44.02 76.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . 0.402 ' CB ' ' NH1' ' A' ' 18' ' ' ARG . . . -55.33 -48.17 74.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.648 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 85.1 mt -66.69 -54.37 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.476 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.538 ' N ' ' CD1' ' B' ' 242' ' ' PHE . 7.0 m-30 -58.22 -51.11 71.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -47.43 -37.96 12.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.656 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . 0.534 HD21 ' O ' ' B' ' 244' ' ' LEU . 4.7 tt -68.01 -41.78 81.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.582 ' OH ' ' CG ' ' B' ' 297' ' ' ASP . 22.3 m-30 -71.88 -41.59 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 70.5 m -53.38 -42.53 67.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -76.48 -29.31 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.513 ' CD1' ' NH2' ' B' ' 253' ' ' ARG . 0.3 OUTLIER -72.53 -60.62 2.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.611 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.91 -35.89 64.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 95.9 p -81.46 -13.56 58.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.957 ' C ' ' H ' ' B' ' 253' ' ' ARG . 64.4 t0 -62.48 113.7 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 252' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' B' ' 252' ' ' THR . 0.3 OUTLIER -43.79 9.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.957 ' H ' ' C ' ' B' ' 251' ' ' ASP . 2.9 ttt-85 -81.73 -57.67 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 0.5 OUTLIER -62.37 -42.02 99.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.454 ' HG2' ' CE2' ' B' ' 259' ' ' PHE . 14.7 ttm-85 -60.23 -43.05 96.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . 0.451 ' NH2' ' CB ' ' B' ' 260' ' ' ALA . 0.0 OUTLIER -61.06 -42.19 98.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . 0.464 ' OE1' ' CE1' ' B' ' 279' ' ' PHE . 27.6 mt-10 -57.01 -50.64 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.646 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 254' ' ' LEU . 35.9 mt -57.19 -60.63 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . 0.636 ' N ' ' CD1' ' B' ' 259' ' ' PHE . 3.4 m-30 -53.45 -36.69 61.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . 0.451 ' CB ' ' NH2' ' B' ' 256' ' ' ARG . . . -60.42 -39.8 88.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.623 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.28 -46.05 43.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.18 -46.49 94.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -61.7 -12.75 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -88.14 -20.94 24.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 120.64 24.14 2.66 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 30.4 t -111.44 165.72 11.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.49 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.513 HG12 ' H ' ' B' ' 270' ' ' TRP . 10.2 p -97.88 147.49 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.638 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.11 85.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.415 ' H ' HG23 ' B' ' 267' ' ' VAL . 0.4 OUTLIER -41.39 -52.26 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . 0.513 ' H ' HG12 ' B' ' 267' ' ' VAL . 7.1 m95 -83.96 -32.6 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' B' ' 267' ' ' VAL . . . -58.32 -47.88 82.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . . . . . . . . . 20.5 m -71.14 -36.56 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.572 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -69.04 -44.76 72.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 274' ' ' THR . . . . . 0.606 ' O ' ' N ' ' B' ' 278' ' ' LYS . 98.4 m -72.49 -49.18 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' B' ' 271' ' ' ALA . 79.7 t -57.85 -56.76 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' B' ' 277' ' ' GLU . 2.9 tp -58.11 -40.29 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' B' ' 276' ' ' ILE . 0.4 OUTLIER -76.29 -40.83 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . 0.606 ' N ' ' O ' ' B' ' 274' ' ' THR . 25.0 ttpp -59.9 -39.89 86.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' B' ' 282' ' ' GLN . 2.2 m-85 -79.86 -26.59 40.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -69.36 -13.27 62.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' B' ' 281' ' ' GLU . 0.2 OUTLIER -81.29 -46.32 14.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 279' ' ' PHE . 13.9 pt20 -59.85 -43.51 94.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.625 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.538 ' N ' ' CG ' ' B' ' 282' ' ' GLN . 47.3 m-85 -65.95 -35.06 79.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -76.87 -17.86 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -91.89 -17.17 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.618 ' CD2' ' C ' ' B' ' 286' ' ' LEU . 0.0 OUTLIER -52.34 158.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 287' ' ' SER . . . . . 0.552 ' N ' ' HG ' ' B' ' 286' ' ' LEU . 30.7 t -83.8 -48.83 9.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.64 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.527 ' O ' ' CD2' ' B' ' 286' ' ' LEU . 32.5 t70 -52.23 117.44 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.615 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . 0.49 ' HA ' ' HB3' ' B' ' 292' ' ' LYS . 9.0 t30 -73.37 -41.27 63.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.94 -38.54 56.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' B' ' 294' ' ' ARG . 1.7 mp -87.68 -40.5 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.611 ' CA ' HD21 ' B' ' 286' ' ' LEU . 0.0 OUTLIER -36.46 -40.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.485 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . 0.528 ' OE1' ' HA ' ' B' ' 293' ' ' GLU . 34.4 tp10 -52.5 -39.5 61.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.414 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' B' ' 291' ' ' LEU . 24.9 mtm105 -45.58 -41.93 10.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.319 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -51.13 -47.65 61.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.232 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -59.38 -39.79 95.23 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . 0.582 ' CG ' ' OH ' ' B' ' 245' ' ' TYR . 28.1 m-20 -63.64 -43.48 96.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.288 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.74 -49.22 73.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.236 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -56.78 -41.59 77.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.154 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -70.1 -35.5 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.133 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -43.28 99.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.219 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -56.16 -44.27 88.78 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . 0.793 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -62.77 -40.32 96.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.216 179.707 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.793 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 6.5 ttt180 -62.38 -41.9 99.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.214 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.91 -33.58 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.262 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . 0.633 ' O ' ' OD2' ' B' ' 310' ' ' ASP . 2.3 tt -62.8 -39.62 94.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.52 -42.18 92.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.357 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . 0.476 ' N ' ' ND1' ' B' ' 308' ' ' HIS . 1.7 m80 -75.08 -29.19 60.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.391 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . 0.526 HD23 ' CZ ' ' B' ' 211' ' ' ARG . 0.3 OUTLIER -60.63 -17.36 46.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.52 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . 0.633 ' OD2' ' O ' ' B' ' 306' ' ' LEU . 0.0 OUTLIER -115.01 113.57 24.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.584 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.592 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.443 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.762 0.315 . . . . 0.0 110.614 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 176.58 157.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.04 144.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.517 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.426 HD13 ' N ' ' B' ' 326' ' ' VAL . 0.8 OUTLIER -95.86 119.92 35.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . 0.573 HG13 ' HG3' ' B' ' 376' ' ' PRO . 47.2 t -117.11 106.44 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.604 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.86 155.17 50.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 4.8 p-10 -65.8 -26.31 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -151.16 125.0 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.534 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.6 tp -75.19 123.73 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.501 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 331' ' ' SER . . . . . 0.425 ' HG ' HG23 ' B' ' 333' ' ' THR . 69.5 p -125.91 136.81 53.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.552 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -52.18 -40.87 62.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 333' ' ' THR . . . . . 0.516 HG23 ' H ' ' B' ' 334' ' ' THR . 11.9 t -52.42 -43.17 64.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 334' ' ' THR . . . . . 0.516 ' H ' HG23 ' B' ' 333' ' ' THR . 91.5 m -58.95 -50.45 74.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.598 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' B' ' 337' ' ' GLU . 5.7 mp -55.26 -41.96 72.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . 0.591 ' C ' HH22 ' B' ' 304' ' ' ARG . . . -65.54 7.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' B' ' 335' ' ' LEU . 25.8 tt0 -107.87 -39.49 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.479 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.482 ' H ' ' HG ' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -116.4 118.39 37.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -47.28 158.87 0.49 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.83 2.353 . . . . 0.0 112.061 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -69.48 -12.04 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.485 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -70.67 -40.74 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -83.9 -21.19 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.507 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' B' ' 342' ' ' ARG . 34.0 tp -88.22 98.33 11.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.544 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.08 10.07 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -177.07 155.15 17.45 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 16.1 t -138.53 142.75 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.866 0.365 . . . . 0.0 110.465 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 91.5 t -143.86 117.26 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' B' ' 370' ' ' MET . 66.2 t -110.61 149.28 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . 0.427 HH11 ' C ' ' B' ' 374' ' ' ILE . 6.7 mtp-105 -88.69 -39.18 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' B' ' 351' ' ' GLY . 5.3 p-10 -139.19 -102.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . 0.533 ' H ' ' CG ' ' B' ' 350' ' ' ASP . . . 51.82 162.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -86.67 160.49 18.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -86.86 -5.91 58.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.64 -0.39 37.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 355' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' B' ' 358' ' ' ALA . 0.3 OUTLIER -50.1 150.76 2.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.576 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -65.16 -48.71 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.58 92.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . 0.505 ' HB3' ' OG ' ' B' ' 355' ' ' SER . . . -57.06 -40.99 77.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.2 mt -71.27 -32.56 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 360' ' ' MET . . . . . 0.44 ' SD ' ' OG1' ' B' ' 238' ' ' THR . 0.9 OUTLIER -63.85 -51.91 62.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.609 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . 0.442 HG21 ' N ' ' B' ' 362' ' ' ARG . 16.1 m -60.58 -44.34 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.459 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.565 ' NH2' ' O ' ' B' ' 176' ' ' ALA . 11.1 ttm-85 -56.89 -53.28 59.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -66.34 -27.5 67.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 40.6 tp -72.4 -28.93 63.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.474 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.01 33.84 6.77 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 4.0 mt -112.82 125.53 29.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.21 132.43 18.71 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.786 2.324 . . . . 0.0 112.195 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 35.6 m -142.75 134.73 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . 0.411 HG11 ' N ' ' B' ' 370' ' ' MET . 1.5 t -130.06 146.97 33.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.551 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' B' ' 174' ' ' LEU . 0.0 OUTLIER -133.6 157.54 45.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.597 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 102.7 -8.49 54.61 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.2 113.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.522 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -104.37 44.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . 0.43 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 4.9 tp -124.44 140.72 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.426 ' OE1' ' NH1' ' B' ' 349' ' ' ARG . 4.8 mm100 -73.7 112.79 17.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . 0.573 ' HG3' HG13 ' B' ' 326' ' ' VAL . 50.3 Cg_exo -49.0 -25.34 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.775 2.316 . . . . 0.0 112.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 58.5 m -49.85 -32.37 14.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . 0.45 ' O ' ' CE1' ' B' ' 380' ' ' HIS . 3.1 t -85.37 -28.31 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.708 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.713 ' O ' ' O ' ' B' ' 380' ' ' HIS . 4.0 mm? -65.82 -22.88 66.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.713 ' O ' ' O ' ' B' ' 379' ' ' LEU . 3.0 p80 -6.43 -114.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.651 ' N ' ' ND1' ' B' ' 380' ' ' HIS . 7.0 mtt180 -88.14 17.09 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . 0.432 ' HB2' ' CE1' ' B' ' 380' ' ' HIS . 16.3 tpt180 -74.87 144.99 43.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 16.5 m -70.42 123.68 22.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 49.1 tp -116.63 142.53 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.441 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . 0.661 ' O ' HG13 ' B' ' 385' ' ' ILE . 0.1 OUTLIER -139.58 101.97 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . 0.464 ' O ' HD13 ' B' ' 385' ' ' ILE . 29.1 t -92.94 157.23 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' B' ' 391' ' ' GLY . 57.9 t0 -141.61 78.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -40.9 -53.64 3.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -41.84 -57.03 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.48 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' B' ' 391' ' ' GLY . 4.6 tpp180 -96.18 7.14 47.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.528 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 37.45 54.85 1.68 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.3 156.06 33.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.594 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 3.1 tp -129.94 111.19 12.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.467 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.469 ' HA ' ' N ' ' B' ' 170' ' ' ARG . 52.3 mt -108.01 173.92 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.54 ' O ' ' C ' ' B' ' 396' ' ' ASP . 3.2 p -142.21 120.58 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.54 ' C ' ' O ' ' B' ' 395' ' ' VAL . 1.1 m-20 28.01 58.12 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 C--N 1.304 -1.768 0 C-N-CA 122.812 2.341 . . . . 0.0 112.118 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -81.92 159.11 23.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.473 ' HB ' ' OE1' ' A' ' 72' ' ' GLU . 73.4 t -133.48 116.8 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.504 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -124.02 173.22 8.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -162.84 133.53 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.486 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 t -79.04 130.51 35.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.6 t -131.25 123.79 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.599 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.17 126.98 31.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.0 mm -90.23 104.54 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.4 57.09 3.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.423 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 62.69 22.72 13.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.491 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.675 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -162.35 101.54 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.524 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.438 HD21 ' H ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.36 -6.57 10.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.51 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.75 -45.89 0.83 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.686 ' O ' ' C ' ' A' ' 16' ' ' HIS . 5.8 tpt -179.47 151.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.722 0.296 . . . . 0.0 110.655 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.686 ' C ' ' O ' ' A' ' 15' ' ' MET . 3.2 t-160 -4.71 -66.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -168.12 2.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.485 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -48.39 -55.49 18.74 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 18' ' ' ARG . 52.6 Cg_exo -47.58 -48.17 16.27 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 122.881 2.388 . . . . 0.0 112.219 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.65 -43.21 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.489 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -41.63 90.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -63.17 -37.87 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -49.23 -45.34 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.575 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.615 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 12.3 m-85 -57.83 -39.53 77.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.562 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.14 -34.91 64.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.575 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.651 ' HG ' ' HD1' ' A' ' 30' ' ' PHE . 5.3 tt -69.19 -39.02 78.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.4 ttp -58.58 -30.09 66.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.5 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.615 ' OE1' ' O ' ' A' ' 24' ' ' PHE . 3.3 mt-30 -83.64 -31.94 25.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.53 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.25 -28.13 41.75 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.77 ' CD1' ' OE1' ' A' ' 74' ' ' GLU . 7.6 m-85 -110.01 148.12 32.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.537 ' H ' ' HG3' ' A' ' 71' ' ' GLN . 60.0 t0 -91.86 99.01 11.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.573 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.752 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 162.99 152.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -98.7 130.5 45.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.725 ' O ' HD13 ' A' ' 35' ' ' LEU . 7.1 p -107.4 131.94 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.725 HD13 ' O ' ' A' ' 34' ' ' VAL . 2.7 mm? -133.12 137.02 46.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 9.5 mp -107.63 150.44 26.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.58 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.438 HH21 ' HD2' ' A' ' 37' ' ' ARG . 17.1 mtm105 -146.63 136.37 23.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.554 ' OD1' ' SD ' ' A' ' 54' ' ' MET . 1.8 m120 -93.15 155.07 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.12 -28.16 16.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.494 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.447 ' N ' ' OE2' ' A' ' 40' ' ' GLU . 1.4 mm-40 -68.26 -10.53 55.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.1 11.97 59.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -84.8 116.56 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -77.48 103.76 7.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.442 ' CA ' ' HB3' ' A' ' 51' ' ' ALA . . . -89.76 65.14 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -40.43 121.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.13 -9.65 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -100.45 29.0 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.03 123.23 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.668 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 14.5 p -63.2 -35.52 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.681 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.0 pt -61.5 -37.37 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.58 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HB3' ' CA ' ' A' ' 44' ' ' ALA . . . -65.69 -42.28 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.47 -38.73 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.577 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -65.47 -35.75 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.554 ' SD ' ' OD1' ' A' ' 38' ' ' ASN . 1.9 tmt? -68.73 -36.09 77.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.587 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -35.27 80.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.623 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.99 -34.74 57.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.624 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.4 p -76.69 -6.48 52.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.498 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.19 29.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.567 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -69.2 96.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.539 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.94 4.99 38.83 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -105.87 163.94 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -97.32 143.81 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.0 pt -130.95 162.3 39.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -124.24 100.71 6.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.5 128.45 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -120.73 138.63 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.69 130.3 29.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.558 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.3 m -123.44 128.77 50.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.752 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 142.32 160.7 8.45 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.06 -44.47 23.22 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.87 2.38 . . . . 0.0 112.077 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 1.085 ' HB3' ' HG2' ' A' ' 74' ' ' GLU . 1.7 mm100 -93.27 5.94 49.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.563 ' OE1' ' C ' ' A' ' 72' ' ' GLU . 1.3 pp20? -37.46 -37.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 8.6 tp10 -63.25 -53.34 54.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.479 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 1.085 ' HG2' ' HB3' ' A' ' 71' ' ' GLN . 1.2 pp20? -54.98 -50.17 69.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.999 ' N ' ' OE1' ' A' ' 74' ' ' GLU . . . -55.86 -50.64 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.635 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.73 ' O ' HG12 ' A' ' 79' ' ' VAL . 2.9 tt -64.34 -43.81 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.688 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.45 99.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.635 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.25 96.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.605 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -66.72 -42.02 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.542 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 1.0 OUTLIER -64.68 -41.61 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.51 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.08 86.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.505 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.45 -37.36 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 4.8 m-85 -69.75 -32.23 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.535 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 85' ' ' SER . 14.2 m-20 -82.37 -4.3 57.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.5 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.521 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 91.0 mt -125.65 134.28 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.468 ' CD ' ' H ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -88.11 107.63 18.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -107.48 164.79 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.727 ' O ' ' SD ' ' B' ' 370' ' ' MET . 5.7 mp -80.01 119.1 75.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.59 115.65 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.77 2.314 . . . . 0.0 112.145 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . 0.568 ' CB ' ' SD ' ' B' ' 370' ' ' MET . . . -92.75 -36.66 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.461 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.3 107.6 6.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.6 145.56 9.0 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.9 2.4 . . . . 0.0 112.124 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 136.17 168.59 11.53 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 12.5 p -124.79 139.56 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.498 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -142.21 144.5 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . 0.411 ' O ' HG13 ' B' ' 182' ' ' ILE . 23.1 pt -130.92 129.7 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 173.11 175.58 0.11 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.605 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.02 167.66 21.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.576 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -105.92 128.82 9.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . 0.42 ' CB ' ' CD1' ' B' ' 323' ' ' PHE . 8.8 t90 -115.92 118.31 32.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.483 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.861 0.362 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 8.3 mp -54.1 126.06 21.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.612 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 14.2 p-10 -155.92 49.54 0.42 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.445 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . 0.612 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 53.9 Cg_exo -47.15 -54.42 5.06 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.792 2.328 . . . . 0.0 112.157 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -48.87 -51.16 31.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 10.9 tp -75.97 -34.19 59.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.502 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' B' ' 204' ' ' ASP . 1.8 tp10 -71.77 -65.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.389 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . 0.584 ' HG2' ' N ' ' B' ' 210' ' ' GLU . 0.2 OUTLIER -45.1 -46.87 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . 0.584 ' N ' ' HG2' ' B' ' 209' ' ' ARG . 15.5 tm-20 -64.59 -38.64 91.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.573 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -58.98 -43.69 91.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.548 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -53.04 50.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.568 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 213' ' ' THR . . . . . 0.597 ' O ' ' OE1' ' B' ' 217' ' ' GLU . 36.6 p -50.91 -48.62 60.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.477 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -66.94 -34.34 86.77 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . 0.482 ' CB ' HD23 ' B' ' 309' ' ' LEU . . . -72.6 -45.84 57.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.748 0.308 . . . . 0.0 110.577 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.613 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.8 OUTLIER -59.57 -50.3 74.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.597 ' OE1' ' O ' ' B' ' 213' ' ' THR . 1.2 mp0 -52.94 -31.85 42.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.492 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' B' ' 222' ' ' GLU . 2.4 tp10 -77.13 -33.55 56.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.458 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.29 -49.09 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -58.58 -49.07 78.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 74.5 m-20 -67.43 -31.63 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.698 ' HG3' ' CE1' ' B' ' 226' ' ' TYR . 40.9 tt0 -67.79 -39.3 84.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.17 -39.27 75.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.45 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . 0.469 HH21 ' HD2' ' B' ' 224' ' ' ARG . 43.6 ttm105 -69.79 -38.15 76.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . 0.53 ' HD3' ' O ' ' B' ' 221' ' ' ASN . 22.8 mtp180 -81.93 -33.76 30.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.464 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.698 ' CE1' ' HG3' ' B' ' 222' ' ' GLU . 3.3 m-85 -68.45 -49.81 57.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 227' ' ' SER . . . . . 0.635 ' CB ' ' CG ' ' B' ' 242' ' ' PHE . 51.4 p -62.05 -31.47 71.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.46 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . 0.402 ' HB2' ' HZ2' ' B' ' 228' ' ' LYS . 0.7 OUTLIER -54.6 -46.64 73.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.46 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 226' ' ' TYR . 5.0 ptm180 -77.87 -43.0 31.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.488 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . 0.423 ' N ' ' HG3' ' B' ' 229' ' ' ARG . 0.6 OUTLIER -51.62 -60.25 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -46.89 -41.8 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.45 -25.26 65.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.476 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -96.18 -46.53 2.59 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -91.3 -156.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.596 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.424 ' NE2' ' OE1' ' B' ' 237' ' ' GLU . 13.7 pt20 -98.46 -176.85 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.637 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 240' ' ' ALA . 14.3 mttm -61.05 -33.72 73.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.424 ' OE1' ' NE2' ' B' ' 235' ' ' GLN . 88.5 tt0 -42.79 -43.28 3.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.663 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.561 ' O ' ' CG1' ' B' ' 241' ' ' ILE . 4.6 m -69.67 -44.99 69.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.694 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . 0.483 ' HA ' ' HD2' ' B' ' 242' ' ' PHE . . . -71.88 -14.78 62.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 236' ' ' LYS . . . -82.94 -35.25 26.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . 0.854 HG13 ' H ' ' B' ' 242' ' ' PHE . 8.6 pt -72.28 -62.24 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.904 ' CG ' ' N ' ' B' ' 243' ' ' ASP . 0.1 OUTLIER -48.59 -62.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.904 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 12.2 t0 -38.36 -43.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -61.21 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.502 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.563 ' CZ ' ' HB3' ' B' ' 297' ' ' ASP . 8.3 m-85 -59.85 -45.13 93.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 246' ' ' SER . . . . . 0.463 ' N ' ' O ' ' B' ' 242' ' ' PHE . 36.2 t -41.33 -44.09 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.515 ' NE2' ' CZ ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -70.26 -29.82 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.575 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.567 ' CD2' HH11 ' B' ' 253' ' ' ARG . 2.7 tm? -62.14 -59.59 4.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . 0.497 ' O ' HD13 ' B' ' 216' ' ' LEU . 67.6 mt -54.39 -44.0 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 77.3 p -69.9 -24.2 63.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.75 ' C ' ' H ' ' B' ' 253' ' ' ARG . 31.7 t0 -53.44 124.64 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.644 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 2.8 m -55.86 8.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.75 ' H ' ' C ' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -82.28 -37.9 25.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.533 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 3.8 mm? -78.39 -37.22 44.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.663 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -69.7 -44.28 70.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.665 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' B' ' 260' ' ' ALA . 34.6 ptt180 -66.41 -40.54 89.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' B' ' 256' ' ' ARG . 19.5 mt-10 -63.34 -48.29 78.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 254' ' ' LEU . 12.6 mt -61.53 -61.5 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' B' ' 256' ' ' ARG . . . -62.07 -41.65 98.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.25 -42.09 99.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.21 -33.18 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -20.41 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.68 -21.15 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.38 20.07 2.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 73.6 m -89.92 151.67 21.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.693 0.282 . . . . 0.0 110.683 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.469 HG12 ' H ' ' B' ' 269' ' ' GLU . 54.3 t -99.95 144.8 11.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . 0.45 ' H ' ' CD ' ' B' ' 208' ' ' GLU . . . -44.22 -29.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.556 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.469 ' H ' HG12 ' B' ' 267' ' ' VAL . 1.8 mp0 -59.12 -53.99 52.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' B' ' 274' ' ' THR . 0.4 OUTLIER -81.42 -30.23 33.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.582 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.487 ' O ' HG21 ' B' ' 275' ' ' VAL . . . -58.09 -54.56 45.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.493 ' O ' HG12 ' B' ' 276' ' ' ILE . 16.4 m -64.9 -37.11 79.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -73.92 -47.46 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.485 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 274' ' ' THR . . . . . 0.401 ' N ' ' O ' ' B' ' 270' ' ' TRP . 97.8 m -61.63 -55.18 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.529 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.487 HG21 ' O ' ' B' ' 271' ' ' ALA . 77.8 t -48.37 -63.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.546 HG13 ' N ' ' B' ' 277' ' ' GLU . 31.2 pt -53.88 -41.33 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.546 ' N ' HG13 ' B' ' 276' ' ' ILE . 50.3 tp10 -66.12 -44.8 83.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -61.84 -37.24 83.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . 0.448 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 1.2 m-85 -72.69 -31.01 64.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.67 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.1 79.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.669 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -75.75 -46.06 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.613 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -60.51 -40.27 90.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.451 ' CZ ' HD13 ' B' ' 298' ' ' LEU . 3.8 m-85 -59.47 -46.76 87.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.639 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . 0.656 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -59.39 -45.46 91.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -29.99 -41.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.656 ' O ' ' O ' ' B' ' 284' ' ' ALA . 6.1 mp -74.95 166.81 23.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 66.6 m -115.41 -14.4 11.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -42.91 135.19 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.659 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . 0.613 ' CG ' ' H ' ' B' ' 290' ' ' TYR . 23.8 p-10 -57.66 -60.88 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.468 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . 0.761 ' HH ' HH21 ' B' ' 294' ' ' ARG . 55.4 t80 -53.67 -25.39 17.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.702 HD13 ' N ' ' B' ' 292' ' ' LYS . 1.2 tm? -70.29 -63.5 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.477 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.702 ' N ' HD13 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -37.9 -39.78 0.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.13 -43.34 53.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.283 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.761 HH21 ' HH ' ' B' ' 290' ' ' TYR . 12.6 tpt180 -49.76 -44.5 48.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -57.97 -48.63 79.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.178 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -58.69 -39.65 93.79 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . 0.563 ' HB3' ' CZ ' ' B' ' 245' ' ' TYR . 1.4 m-20 -65.01 -41.85 94.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.391 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' B' ' 283' ' ' PHE . 0.5 OUTLIER -56.32 -46.05 80.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.361 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . 0.547 ' NH1' ' N ' ' B' ' 303' ' ' GLN . 2.1 tpm_? -56.7 -45.76 81.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.159 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.79 95.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.311 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . 0.408 HD11 ' CG ' ' B' ' 245' ' ' TYR . 0.5 OUTLIER -66.52 -40.53 89.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.205 179.729 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.21 -44.14 97.73 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . 0.547 ' N ' ' NH1' ' B' ' 299' ' ' ARG . 1.3 tm0? -55.0 -38.81 68.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.268 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.514 ' NE ' ' OE1' ' B' ' 222' ' ' GLU . 0.0 OUTLIER -66.03 -37.66 86.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.348 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.26 -40.0 93.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.311 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.61 -37.55 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.475 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -45.02 86.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.398 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -73.96 -23.88 59.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.482 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . 0.482 HD23 ' CB ' ' B' ' 215' ' ' ALA . 0.6 OUTLIER -65.04 -21.56 66.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.449 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -133.89 64.5 1.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.507 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 7.6 ptm180 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.687 0.28 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.507 ' HB3' ' O ' ' B' ' 322' ' ' ARG . 50.5 p90 171.83 170.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.561 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . 0.438 HG22 ' N ' ' B' ' 325' ' ' LEU . 88.6 mt -97.81 147.38 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' B' ' 325' ' ' LEU . 2.6 tm? -85.9 118.34 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 25.7 t -117.64 103.47 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -139.63 148.37 42.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.468 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 43.6 p30 -63.64 -31.67 72.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.484 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.582 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 15.8 tm-20 -143.61 128.56 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.601 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.466 ' O ' ' OE2' ' B' ' 329' ' ' GLU . 58.2 mt -83.98 118.95 24.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.612 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 37.2 t -115.16 134.95 54.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.16 -38.12 65.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.62 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 10.9 p -61.98 -38.71 89.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.8 m -61.07 -52.82 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.598 ' C ' ' H ' ' B' ' 337' ' ' GLU . 1.3 mp -55.51 -34.08 64.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.537 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.5 16.64 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.626 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.598 ' H ' ' C ' ' B' ' 335' ' ' LEU . 94.8 mt-10 -122.36 -46.48 2.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.736 ' HB2' ' NE ' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -95.18 114.4 63.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.458 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.67 145.88 8.81 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.822 2.348 . . . . 0.0 112.117 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -71.05 -14.15 62.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.667 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -67.17 -45.32 77.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.736 ' NE ' ' HB2' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -77.3 -18.56 57.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.649 HD22 ' H ' ' B' ' 345' ' ' GLY . 3.0 tt -73.77 114.15 11.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 13.9 t -121.76 8.54 5.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . 0.649 ' H ' HD22 ' B' ' 343' ' ' LEU . . . 177.11 171.07 40.29 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 43.5 t -150.1 142.56 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 56.7 t -145.41 123.96 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.499 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 0.4 OUTLIER -117.05 156.02 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.634 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . 0.41 ' N ' HG21 ' B' ' 348' ' ' VAL . 8.5 ttt85 -90.81 -53.08 4.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.791 ' O ' ' N ' ' B' ' 352' ' ' ALA . 9.9 p30 -132.18 -15.81 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . -52.82 63.01 0.0 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . 0.791 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -42.36 174.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' B' ' 355' ' ' SER . . . -59.97 -34.01 72.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.505 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 353' ' ' ALA . 0.7 OUTLIER -38.1 -32.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 355' ' ' SER . . . . . 0.419 ' N ' ' O ' ' B' ' 353' ' ' ALA . 72.9 m -57.63 143.9 39.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.593 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -48.07 78.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.477 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.56 85.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.531 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.15 76.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.07 -33.36 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.538 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 51.0 mtm -82.67 -24.4 33.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.436 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 84.9 t -67.76 -49.89 65.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.411 ' NH1' ' CB ' ' B' ' 353' ' ' ALA . 0.2 OUTLIER -67.31 -34.46 77.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.67 -24.23 62.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.17 -21.9 55.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.25 33.59 6.81 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . 0.616 ' CG2' ' HD2' ' B' ' 367' ' ' PRO . 38.7 mt -114.88 141.51 26.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.597 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . 0.616 ' HD2' ' CG2' ' B' ' 366' ' ' ILE . 51.1 Cg_endo -72.99 129.38 14.18 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.794 2.329 . . . . 0.0 112.05 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 68.3 m -138.71 144.75 39.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.586 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.27 137.23 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.727 ' SD ' ' O ' ' B' ' 174' ' ' LEU . 0.0 OUTLIER -121.3 159.25 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 100.97 -7.02 57.01 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.95 109.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -98.23 32.85 2.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.76 123.89 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.518 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 2.1 mp0 -57.23 140.26 78.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.4 -22.38 21.67 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.826 2.351 . . . . 0.0 112.18 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 96.0 p -60.39 -32.35 71.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 58.4 t -83.21 -32.69 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.587 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.687 ' O ' ' N ' ' B' ' 381' ' ' ARG . 86.5 mt -66.6 -28.68 68.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.596 ' C ' ' O ' ' B' ' 379' ' ' LEU . 22.4 t-80 22.44 -83.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.611 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.687 ' N ' ' O ' ' B' ' 379' ' ' LEU . 10.6 ptp85 -145.5 25.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -67.98 174.44 3.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 30.4 m -77.34 124.36 27.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.0 130.49 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 97.1 mt -130.7 97.34 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.526 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 31.5 m -103.63 160.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.544 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.663 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.8 t0 -141.3 83.35 1.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.574 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -43.5 -46.13 6.98 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' B' ' 389' ' ' TYR . 0.0 OUTLIER -50.95 -52.97 37.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.506 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . 0.406 ' N ' ' CG ' ' B' ' 389' ' ' TYR . 27.5 ttt85 -94.82 -0.33 54.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.556 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 45.52 49.56 11.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -121.06 157.8 29.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.543 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 5.5 tt -129.84 118.35 21.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 85.6 mt -107.34 159.24 16.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.588 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.592 ' O ' ' C ' ' B' ' 396' ' ' ASP . 76.4 t -130.6 114.66 28.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.1 OUTLIER 22.77 60.36 0.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo . . . . . 0 C--N 1.304 -1.81 0 C-N-CA 122.791 2.327 . . . . 0.0 112.098 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.589 ' HG1' HG22 ' A' ' 68' ' ' THR . 2.1 t -84.01 158.79 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.493 ' HB ' ' OE1' ' A' ' 72' ' ' GLU . 85.9 t -132.69 119.48 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.631 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -127.39 172.05 10.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -161.44 134.74 6.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.539 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.588 ' OG1' ' NE2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -79.6 129.34 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.665 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.1 t -129.9 123.62 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -80.47 126.38 31.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.423 HD12 HG22 ' A' ' 9' ' ' ILE . 85.1 mt -89.85 104.84 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.0 p -82.89 58.77 4.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.421 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m120 61.53 22.44 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.444 ' C ' ' H ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -162.55 101.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.477 ' H ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.74 3.43 1.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.489 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.624 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 119.46 62.97 0.27 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.595 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.8 OUTLIER 81.08 -162.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 110.436 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 23.2 t-80 -53.25 -102.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.556 ' N ' ' CG ' ' A' ' 16' ' ' HIS . . . -132.02 -1.38 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.474 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -40.21 -53.56 5.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.624 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 51.2 Cg_exo -48.22 -51.71 9.6 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.805 2.336 . . . . 0.0 112.115 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.12 96.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.662 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.502 ' SD ' HD11 ' B' ' 244' ' ' LEU . 0.2 OUTLIER -67.66 -41.4 83.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.498 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -62.98 -37.08 85.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.19 -46.57 54.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.526 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.65 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -55.35 -39.23 69.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -74.31 -33.45 63.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.491 HD22 ' CE1' ' A' ' 30' ' ' PHE . 84.9 mt -67.74 -44.19 78.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.498 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.9 mtp -54.73 -33.9 61.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.556 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.65 ' OE1' ' O ' ' A' ' 24' ' ' PHE . 5.7 mp0 -78.92 -33.74 45.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.95 -35.13 31.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CE1' HD22 ' A' ' 26' ' ' LEU . 13.9 m-30 -102.09 159.06 15.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 0.0 110.515 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.869 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -102.12 92.09 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.555 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 170.76 158.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.538 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -102.34 128.01 49.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.676 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.04 134.92 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.538 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.551 ' CD2' ' HE ' ' A' ' 37' ' ' ARG . 3.6 tp -136.5 135.62 38.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 4.1 mp -106.22 150.82 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.551 ' HE ' ' CD2' ' A' ' 35' ' ' LEU . 23.2 mtt180 -147.39 135.19 21.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.537 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.428 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 11.4 m120 -91.85 155.94 17.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -52.94 -28.19 22.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 6.7 mp0 -67.76 -11.04 57.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.518 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.49 11.82 59.05 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 38' ' ' ASN . 30.5 p -84.53 116.82 23.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.717 0.294 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -77.91 103.15 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.547 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.29 65.52 7.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.639 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -40.67 120.96 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.581 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.69 -9.82 10.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -100.18 28.23 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.92 123.38 11.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.57 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 50' ' ' ILE . 2.2 p -63.45 -35.87 74.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.421 ' O ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -61.7 -37.02 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.603 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.62 91.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.584 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.33 -38.16 79.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.619 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -65.81 -36.17 82.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.445 ' N ' ' CD2' ' A' ' 53' ' ' LEU . 3.2 tpp -67.93 -35.76 78.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.09 -35.38 80.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -53.03 -34.95 58.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.446 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.5 p -76.43 -6.8 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.96 29.4 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -69.65 97.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.599 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.85 5.17 38.9 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.417 HH21 ' HD2' ' A' ' 61' ' ' ARG . 6.9 mmm180 -106.4 165.0 11.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.588 ' NE2' ' OG1' ' A' ' 6' ' ' THR . 55.0 tt0 -97.33 143.81 27.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.673 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -130.56 161.85 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.472 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.673 ' N ' HG13 ' A' ' 63' ' ' ILE . 5.6 mm-40 -124.32 101.07 6.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.35 129.26 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -121.48 139.47 53.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.9 130.57 27.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.601 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.589 HG22 ' HG1' ' A' ' 2' ' ' THR . 5.9 p -121.62 141.29 51.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.555 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 133.15 -177.15 19.16 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.869 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.9 Cg_endo -72.16 -37.14 4.92 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.863 2.375 . . . . 0.0 112.18 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' GLU . 50.9 mm-40 -98.26 3.6 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.596 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.562 ' CD ' ' N ' ' A' ' 73' ' ' GLU . 1.3 pp20? -36.07 -41.79 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.562 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 17.1 pt-20 -58.62 -49.3 77.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 11.9 tp10 -58.91 -51.9 68.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.53 -49.43 72.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.841 ' O ' HG13 ' A' ' 79' ' ' VAL . 1.7 tt -64.68 -44.05 91.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.505 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.14 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.7 98.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.841 HG13 ' O ' ' A' ' 76' ' ' LEU . 1.0 OUTLIER -66.63 -42.32 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.539 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -64.65 -41.57 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.453 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.466 ' N ' HG21 ' A' ' 80' ' ' ILE . . . -63.31 -36.77 84.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.513 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.0 -37.58 66.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.443 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -69.67 -32.02 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.671 ' O ' ' HB2' ' A' ' 85' ' ' SER . 80.4 m-20 -82.29 -5.69 58.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.671 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 71.6 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.59 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . 0.409 HH21 ' HD3' ' B' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 70.6 mt -89.6 118.23 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -57.51 128.7 38.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.533 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -142.38 157.6 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.589 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.57 112.8 34.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.76 116.75 4.84 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.912 2.408 . . . . 0.0 112.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -90.04 -33.84 16.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.472 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.03 109.17 7.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.34 145.1 8.74 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.853 2.368 . . . . 0.0 112.051 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 131.98 171.92 12.94 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 9.8 p -129.06 145.06 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -138.36 140.93 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 182' ' ' ILE . 25.1 pt -128.4 129.52 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.473 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 171.77 174.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . 0.47 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 25.6 mp0 -72.69 161.17 31.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.619 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -104.29 122.58 7.41 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -118.48 133.07 56.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 187' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.75 0.31 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.495 ' C ' ' OD1' ' B' ' 204' ' ' ASP . 0.8 OUTLIER -87.56 145.06 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.613 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.938 ' O ' ' CB ' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -154.32 98.19 2.55 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -71.97 -21.47 24.31 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.884 2.39 . . . . 0.0 112.102 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -94.41 -62.26 1.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.02 -37.32 87.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.938 ' CB ' ' O ' ' B' ' 204' ' ' ASP . 1.7 tp10 -68.92 -59.22 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -49.75 -53.54 24.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.01 -39.88 87.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.403 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.521 HH22 ' CD ' ' B' ' 269' ' ' GLU . 2.3 ttt180 -55.57 -39.92 71.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -49.6 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.387 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 52.2 m -53.42 -50.16 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.474 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.45 -37.37 94.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.74 66.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 110.393 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.9 tt -61.46 -50.85 71.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.477 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 68.4 mm-40 -54.36 -38.63 66.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.394 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.14 -34.49 66.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.472 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -84.59 -48.25 9.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.503 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -60.34 -49.23 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 89.3 m-20 -61.7 -36.9 82.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.609 ' OE2' ' CD1' ' B' ' 226' ' ' TYR . 2.6 tm-20 -67.25 -34.6 77.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.412 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.76 -40.0 72.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.442 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . 0.6 ' NE ' ' OG ' ' B' ' 246' ' ' SER . 81.6 mtt85 -59.77 -43.9 94.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.501 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . 0.417 ' O ' ' HD3' ' B' ' 229' ' ' ARG . 0.6 OUTLIER -73.28 -35.46 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.676 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.2 OUTLIER -57.43 -58.07 9.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.411 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 227' ' ' SER . . . . . 0.636 ' CB ' ' CB ' ' B' ' 242' ' ' PHE . 98.1 p -61.76 -48.26 81.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.476 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -49.49 -40.97 39.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.39 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' B' ' 225' ' ' ARG . 0.7 OUTLIER -67.96 -42.37 81.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . 0.67 ' O ' ' N ' ' B' ' 234' ' ' ALA . 3.4 m-85 -67.98 -42.16 81.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.61 -38.86 70.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.29 -13.49 2.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . 0.967 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -148.31 -65.64 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.967 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -28.83 -125.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.56 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.516 HE21 ' HG3' ' B' ' 360' ' ' MET . 0.0 OUTLIER -139.61 175.01 9.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -68.79 -20.71 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -54.65 -47.3 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.445 ' O ' HG23 ' B' ' 241' ' ' ILE . 4.6 p -71.07 -44.41 65.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -58.57 -41.86 86.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.26 77.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.52 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . 0.662 HG23 ' N ' ' B' ' 242' ' ' PHE . 1.7 tt -63.5 -50.13 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.603 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.678 ' CG ' ' N ' ' B' ' 243' ' ' ASP . 0.0 OUTLIER -52.23 -57.67 8.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.678 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -43.35 -42.15 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.514 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . 0.554 HD21 ' O ' ' B' ' 244' ' ' LEU . 7.0 tt -75.57 -38.89 58.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.618 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -48.24 81.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 246' ' ' SER . . . . . 0.6 ' OG ' ' NE ' ' B' ' 224' ' ' ARG . 1.4 t -50.67 -46.08 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' B' ' 244' ' ' LEU . 0.0 OUTLIER -68.61 -32.32 72.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.611 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 65.2 tp -66.98 -49.05 66.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . 0.422 ' O ' HD11 ' B' ' 216' ' ' LEU . 8.3 mt -70.55 -40.21 73.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 83.7 p -79.8 -1.23 37.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.716 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 0.1 OUTLIER -65.99 125.03 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.559 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -1.66 2.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.55 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.659 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 20.1 mmm180 -78.24 -45.94 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . 0.639 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 2.0 tp -80.73 -33.03 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.439 HH21 ' HD3' ' B' ' 255' ' ' ARG . 21.8 ttp180 -63.26 -49.25 74.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.744 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' B' ' 257' ' ' GLU . 9.5 ptm180 -64.93 -38.55 91.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' B' ' 256' ' ' ARG . 13.1 mt-10 -52.56 -51.11 61.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.605 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' B' ' 254' ' ' LEU . 1.2 mt -58.31 -56.08 26.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . 0.58 ' CD2' ' N ' ' B' ' 259' ' ' PHE . 6.1 m-30 -57.2 -34.17 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.46 94.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.592 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' B' ' 264' ' ' LYS . 7.3 mm-40 -71.11 -43.57 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.638 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.48 -39.57 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.33 -11.19 5.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' B' ' 261' ' ' GLU . 0.8 OUTLIER -95.76 -17.23 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.547 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 117.94 17.96 5.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 57.1 m -97.99 159.24 15.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.65 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.42 146.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.619 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' B' ' 269' ' ' GLU . . . -54.97 -49.71 70.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.521 ' CD ' HH22 ' B' ' 211' ' ' ARG . 4.0 mp0 -38.09 -52.74 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.629 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -75.55 -43.33 49.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.473 ' O ' ' CG1' ' B' ' 275' ' ' VAL . . . -58.15 -44.89 88.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.601 ' O ' HG12 ' B' ' 276' ' ' ILE . 95.1 t -60.08 -37.31 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . 0.586 ' O ' ' CG ' ' B' ' 277' ' ' GLU . 17.9 ttpt -82.94 -33.47 26.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.7 m -70.89 -53.93 13.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.63 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.72 HG12 ' H ' ' B' ' 276' ' ' ILE . 7.2 p -51.97 -58.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.72 ' H ' HG12 ' B' ' 275' ' ' VAL . 1.8 pp -60.08 -44.25 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.587 ' H ' HG13 ' B' ' 276' ' ' ILE . 39.8 mm-40 -59.26 -42.82 92.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -67.05 -35.03 78.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -75.91 -24.72 55.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.556 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.13 82.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.5 -28.99 30.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -62.96 -45.54 91.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.521 ' N ' ' CD1' ' B' ' 283' ' ' PHE . 6.7 m-30 -69.58 -40.24 76.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.576 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -58.0 -47.04 84.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.63 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -32.94 -31.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 284' ' ' ALA . 1.7 mm? -77.32 178.25 7.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.465 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 83.7 p -121.87 -6.78 9.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.622 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' B' ' 292' ' ' LYS . 77.5 m-20 -68.33 108.77 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -60.92 -30.36 70.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -55.32 -42.41 73.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.27 -43.88 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.579 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.635 ' N ' ' O ' ' B' ' 288' ' ' ASP . 15.2 tttp -48.65 -52.49 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.94 -40.94 95.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -56.39 -28.25 58.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' B' ' 298' ' ' LEU . . . -42.47 -45.92 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.407 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -43.15 -35.02 2.33 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -58.81 -38.95 79.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.47 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' B' ' 295' ' ' ALA . 0.8 OUTLIER -50.18 -53.15 29.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.488 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . 0.444 ' C ' ' HD2' ' B' ' 299' ' ' ARG . 5.3 tmm_? -53.12 -42.67 66.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.303 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -68.98 -34.62 75.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.302 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.93 -45.01 83.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.412 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -57.36 -40.92 92.78 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -37.54 83.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.35 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.455 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 1.7 tpt180 -65.98 -41.62 90.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.342 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' B' ' 309' ' ' LEU . 0.5 OUTLIER -70.79 -39.98 72.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.391 179.744 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . 0.596 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.8 OUTLIER -63.19 -41.05 99.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.322 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -62.63 -45.47 92.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.301 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -76.0 -21.33 57.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.357 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 10.2 tp -64.65 -19.01 65.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.577 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . 0.596 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 3.5 m-20 -108.96 116.56 32.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.692 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 9.2 ptm180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.786 0.327 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.692 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 56.3 m-85 -159.79 165.8 31.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.596 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 78.0 mt -107.76 138.6 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.567 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 21.8 tp -83.99 118.23 23.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . 0.455 ' O ' ' HB3' ' B' ' 376' ' ' PRO . 10.9 t -123.6 87.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -120.53 142.25 49.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . 0.486 ' O ' ' OD1' ' B' ' 350' ' ' ASP . 3.0 p-10 -58.38 -29.29 65.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.589 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -144.22 117.03 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.454 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 19.8 tp -85.63 129.29 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.647 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 27.8 t -134.54 141.79 46.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.24 -40.12 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 77.5 m -56.17 -44.88 79.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 79.5 p -71.47 -54.95 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' B' ' 337' ' ' GLU . 1.1 tt -49.74 -37.92 31.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . 0.676 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -71.95 13.85 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' B' ' 335' ' ' LEU . 37.4 tt0 -99.45 -34.6 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' B' ' 338' ' ' LEU . 0.3 OUTLIER -112.05 151.71 43.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -72.87 141.73 33.98 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.802 2.335 . . . . 0.0 112.117 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -66.59 -14.35 62.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.554 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.781 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 38.9 p-10 -62.13 -44.04 97.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.598 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.781 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 0.1 OUTLIER -80.52 -24.86 39.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.569 HD21 ' H ' ' B' ' 345' ' ' GLY . 6.2 tt -67.39 105.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' B' ' 344' ' ' VAL . 33.5 t -115.44 16.38 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.637 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . 0.569 ' H ' HD21 ' B' ' 343' ' ' LEU . . . 170.25 160.45 18.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 34.9 t -145.67 143.87 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.317 . . . . 0.0 110.604 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 4.2 p -162.48 133.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.478 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.412 ' CG2' ' HG3' ' B' ' 370' ' ' MET . 10.9 m -123.88 163.01 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -89.37 -48.69 7.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.504 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.613 ' O ' ' C ' ' B' ' 351' ' ' GLY . 3.6 p30 -121.84 -23.2 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.5 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . 0.613 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . -19.4 132.47 0.01 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -78.93 134.37 36.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.571 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.03 -19.65 64.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -94.39 6.8 47.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 84.3 p -70.14 164.98 23.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.584 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -45.18 92.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.53 68.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.613 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.75 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 46.2 pt -76.71 -21.29 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 360' ' ' MET . . . . . 0.516 ' HG3' HE21 ' B' ' 235' ' ' GLN . 7.4 ttt -63.17 -55.94 20.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . 0.519 HG21 ' H ' ' B' ' 362' ' ' ARG . 4.2 m -66.88 -41.69 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.519 ' H ' HG21 ' B' ' 361' ' ' VAL . 11.6 ttm-85 -54.31 -51.37 64.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.674 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -72.76 -22.83 60.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.541 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 32.9 tp -71.74 -29.62 64.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.66 25.2 18.76 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 3.8 mm -106.52 124.04 36.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -47.73 130.68 19.23 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.749 2.3 . . . . 0.0 112.148 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 97.1 m -146.02 143.01 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.513 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . 0.585 ' O ' ' SD ' ' B' ' 370' ' ' MET . 2.3 t -124.8 150.98 29.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.585 ' SD ' ' O ' ' B' ' 369' ' ' VAL . 0.0 OUTLIER -130.28 155.79 45.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.621 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 90.46 2.51 73.17 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -49.48 109.59 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 110.507 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -91.03 55.74 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -143.98 130.48 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.484 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -68.08 133.46 91.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . 0.455 ' HB3' ' O ' ' B' ' 326' ' ' VAL . 51.0 Cg_endo -72.83 -27.56 14.51 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.82 2.347 . . . . 0.0 112.128 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 83.7 p -71.98 -14.83 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.64 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 47.6 t -100.45 0.24 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.529 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' B' ' 380' ' ' HIS . 3.7 mm? -104.44 4.1 32.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.637 ' C ' ' O ' ' B' ' 379' ' ' LEU . 6.6 t-160 15.79 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' B' ' 379' ' ' LEU . 35.8 ptt180 -144.98 29.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -66.36 169.69 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 93.9 m -77.01 129.19 35.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.609 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 7.3 mt -127.43 142.98 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 83.2 mt -130.39 102.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.59 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 22.7 t -95.0 132.04 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' B' ' 391' ' ' GLY . 67.5 t0 -124.56 88.04 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -58.61 -35.89 82.94 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -49.7 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -90.88 -13.36 33.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 59.46 61.93 6.72 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.29 170.12 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.616 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.8 127.04 45.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.519 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.559 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 5.6 mt -112.26 159.93 18.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.709 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 48.2 t -133.8 119.78 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.577 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.6 OUTLIER 22.47 52.72 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.709 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 52.1 Cg_endo . . . . . 0 C--N 1.305 -1.733 0 C-N-CA 122.904 2.403 . . . . 0.0 112.132 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.469 ' HG2' ' H ' ' A' ' 2' ' ' THR . 2.5 ttm . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.469 ' H ' ' HG2' ' A' ' 1' ' ' MET . 5.1 t -83.19 160.7 21.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.558 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.565 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 3.0 p -134.91 118.88 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -126.36 173.86 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.623 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.699 ' CD ' ' O ' ' A' ' 5' ' ' GLN . 3.9 pp0? -161.98 135.64 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.9 m -82.56 125.83 31.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.62 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.522 ' HB ' HE22 ' A' ' 5' ' ' GLN . 1.0 OUTLIER -126.68 125.05 66.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.497 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.522 ' OE1' ' OE1' ' A' ' 62' ' ' GLN . 4.4 mm-40 -81.46 124.89 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.806 HG21 ' H ' ' A' ' 60' ' ' GLY . 15.7 tt -88.52 105.74 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.718 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.5 OUTLIER -82.68 54.0 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 65.27 24.08 12.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.689 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -163.8 96.8 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.69 ' CD1' ' HG2' ' A' ' 19' ' ' PRO . 2.1 pp -61.42 -2.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 151.92 -135.59 5.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.874 0.369 . . . . 0.0 110.468 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.564 ' C ' ' H ' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -166.73 78.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.456 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.624 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 70.73 -16.29 0.34 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.52 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.856 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.9 mtp180 -60.82 -37.41 44.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.856 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 30.9 Cg_endo -66.74 -39.48 15.13 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.711 2.274 . . . . 0.0 111.988 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.703 ' CB ' HD12 ' A' ' 52' ' ' LEU . . . -71.11 -36.81 72.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.437 ' SD ' HD13 ' B' ' 244' ' ' LEU . 10.2 tpt -76.21 -38.35 56.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -64.39 -34.56 78.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -43.69 64.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.654 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 18.7 m-85 -58.25 -35.48 71.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.453 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.91 -34.93 57.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.647 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.903 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 38.1 mt -69.48 -38.7 77.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.651 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.837 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 5.8 ttt -59.65 -29.42 68.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.632 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -86.45 -29.01 23.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.56 -25.95 37.32 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.903 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.4 p90 -118.96 136.18 54.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.644 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 42.0 m-20 -78.33 111.15 14.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.613 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.788 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 155.76 147.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.44 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -97.81 127.98 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.734 ' O ' HD12 ' A' ' 35' ' ' LEU . 55.2 t -106.34 132.15 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.455 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 34' ' ' VAL . 2.7 mm? -132.83 138.31 47.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 mt -108.59 150.22 27.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.532 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.4 HH21 ' HD3' ' A' ' 37' ' ' ARG . 16.2 ttp-105 -149.02 135.15 19.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.596 HD21 HH11 ' A' ' 61' ' ' ARG . 5.3 m120 -91.92 155.95 17.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 49.3 p-10 -52.72 -26.79 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 30.7 tt0 -68.41 -9.84 51.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.23 12.04 60.46 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.3 m -85.42 116.87 23.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 110.568 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.9 103.55 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.6 65.44 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -40.73 121.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.586 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.591 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.06 -10.22 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -99.66 27.84 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.67 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.8 123.79 12.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.67 -35.83 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.478 HG12 ' N ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -61.67 -36.62 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.478 ' N ' HG12 ' A' ' 50' ' ' ILE . . . -65.59 -43.03 90.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.703 HD12 ' CB ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -58.42 -39.27 79.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 53' ' ' LEU . 7.7 mp -64.12 -36.27 83.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.593 ' O ' ' SD ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -68.71 -36.27 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.643 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.3 -35.43 80.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.567 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.479 ' C ' ' OD2' ' B' ' 288' ' ' ASP . 73.6 m-20 -53.0 -35.1 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.587 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -76.16 -6.78 52.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.638 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.713 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -83.2 29.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.11 97.37 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.806 ' H ' HG21 ' A' ' 9' ' ' ILE . . . 105.16 6.35 39.48 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.596 HH11 HD21 ' A' ' 38' ' ' ASN . 0.9 OUTLIER -106.37 165.71 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.648 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.522 ' OE1' ' OE1' ' A' ' 8' ' ' GLU . 8.2 mm-40 -99.03 143.08 29.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.495 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.2 pt -130.84 163.09 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.638 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -124.55 100.71 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 46.5 t -80.58 127.32 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.531 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -120.0 138.3 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 3' ' ' VAL . . . -137.11 131.35 32.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.555 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.69 129.14 49.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.648 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.569 ' HA3' ' HB2' ' A' ' 32' ' ' ALA . . . 142.28 161.32 8.72 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -46.55 -45.72 18.93 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.791 2.328 . . . . 0.0 112.201 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' GLU . 25.6 mt-30 -93.07 5.25 52.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.569 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 15.8 pt-20 -35.97 -37.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -63.5 -49.01 75.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.654 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -57.38 -51.76 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.527 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.91 -49.89 70.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -64.86 -43.78 91.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.39 99.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.49 99.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.35 -42.17 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.653 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -65.02 -41.23 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.554 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.518 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -64.27 -35.47 80.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.508 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -73.42 -37.93 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.9 m-30 -70.07 -32.52 70.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 80' ' ' ILE . 72.2 m-80 -81.43 -6.75 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.555 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 48.6 mm -118.89 132.0 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -86.77 107.47 18.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . 0.643 ' CB ' ' O ' ' B' ' 370' ' ' MET . . . -115.96 150.25 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.46 118.63 55.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.18 102.0 1.3 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.825 2.35 . . . . 0.0 112.119 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . 0.522 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -72.1 -24.91 61.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -155.11 135.31 8.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.583 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -72.68 144.87 40.38 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.798 2.332 . . . . 0.0 112.115 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 143.16 152.17 5.61 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 43.9 t -115.76 134.42 59.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.718 0.294 . . . . 0.0 110.585 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -153.0 150.65 29.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 1.8 pp -127.01 131.44 70.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -169.7 178.89 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.631 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . 0.522 ' CD ' ' N ' ' B' ' 184' ' ' GLU . 0.3 OUTLIER -96.26 162.06 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -78.82 138.82 21.37 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -146.65 147.05 30.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.742 0.306 . . . . 0.0 110.603 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 2.1 mt -46.75 114.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.599 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 24.6 p-10 -153.41 63.36 4.53 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . 0.607 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 44.8 Cg_endo -71.97 -43.9 1.07 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.836 2.357 . . . . 0.0 112.137 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.02 81.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . 0.511 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 10.1 mp -79.18 -44.54 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 68.8 mm-40 -71.63 -56.13 6.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.644 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . 0.607 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 4.1 tmt_? -43.65 -52.39 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -68.74 -33.12 73.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.468 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.656 ' NE ' ' CD1' ' B' ' 309' ' ' LEU . 40.4 ttt180 -55.62 -45.19 77.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 9.5 mt -66.67 -49.68 65.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.461 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 213' ' ' THR . . . . . 0.418 ' OG1' ' CZ ' ' B' ' 255' ' ' ARG . 95.4 m -56.3 -52.27 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.42 -37.54 93.36 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -73.02 -44.51 60.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.741 0.305 . . . . 0.0 110.478 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' B' ' 220' ' ' ALA . 39.3 mt -59.56 -57.69 11.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.53 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.542 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 0.7 OUTLIER -49.81 -32.2 13.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . 0.523 ' N ' ' HG3' ' B' ' 217' ' ' GLU . 29.9 tt0 -79.18 -31.67 43.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -89.51 -50.55 6.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.47 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.03 -49.55 73.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.522 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' B' ' 225' ' ' ARG . 73.8 m-20 -63.82 -34.79 78.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.493 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.431 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 5.7 tm-20 -70.39 -31.89 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.538 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -58.17 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . 0.527 ' NH1' ' OD1' ' B' ' 221' ' ' ASN . 14.0 ptt180 -65.83 -26.21 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . 0.708 ' HE ' HH12 ' B' ' 229' ' ' ARG . 20.0 mmm-85 -74.32 -44.21 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' B' ' 222' ' ' GLU . 0.2 OUTLIER -67.58 -44.36 78.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.492 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 227' ' ' SER . . . . . 0.451 ' HB3' ' HB3' ' B' ' 242' ' ' PHE . 90.1 p -59.85 -48.72 80.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.465 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -39.69 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . 0.708 HH12 ' HE ' ' B' ' 225' ' ' ARG . 1.1 mpp_? -69.81 -41.77 74.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.53 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . 0.538 ' O ' ' N ' ' B' ' 234' ' ' ALA . 0.1 OUTLIER -65.17 -42.17 93.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.404 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -54.24 -36.31 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.488 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.3 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -123.54 -60.78 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -58.67 -163.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 110.629 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.55 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 0.0 OUTLIER -94.39 -170.45 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . 0.55 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 60.1 tttp -75.38 -38.69 59.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.449 ' CG ' ' NE2' ' B' ' 235' ' ' GLN . 2.1 mt-10 -40.51 -53.43 2.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.538 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 238' ' ' THR . . . . . . . . . . . . . 21.8 p -50.99 -56.73 11.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' B' ' 243' ' ' ASP . . . -57.87 -46.97 84.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.546 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . 0.683 ' O ' ' OD1' ' B' ' 243' ' ' ASP . . . -61.83 -37.64 85.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.629 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 55.9 mt -73.9 -55.43 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.669 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' B' ' 245' ' ' TYR . 10.3 m-85 -61.63 -63.19 1.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.683 ' OD1' ' O ' ' B' ' 240' ' ' ALA . 7.9 p-10 -36.27 -40.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . 0.631 ' N ' ' OD1' ' B' ' 243' ' ' ASP . 18.8 tp -71.16 -41.58 70.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.626 ' O ' ' HB2' ' B' ' 248' ' ' LEU . 0.4 OUTLIER -65.29 -40.65 94.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.681 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 29.1 t -47.55 -42.3 23.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' B' ' 251' ' ' ASP . 15.6 t60 -68.51 -24.87 64.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.626 ' HB2' ' O ' ' B' ' 245' ' ' TYR . 4.3 mp -65.29 -51.06 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.82 -43.96 97.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 20.4 p -83.99 -6.72 59.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.682 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' B' ' 247' ' ' HIS . 39.9 t0 -49.17 109.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.646 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.89 -17.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.591 HH21 ' HB2' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -75.73 -55.07 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -47.19 86.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.717 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.477 HH12 ' NE ' ' B' ' 209' ' ' ARG . 12.8 ttt85 -57.49 -47.27 82.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . 0.625 ' HE ' ' HA ' ' B' ' 256' ' ' ARG . 1.1 tpm_? -51.88 -42.06 62.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -60.17 -45.32 93.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.12 -46.56 86.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . 0.467 ' O ' ' CD1' ' B' ' 259' ' ' PHE . 2.7 t80 -66.11 -34.56 78.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.647 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.97 95.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.18 -37.93 89.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . 0.411 HG11 ' HB2' ' B' ' 208' ' ' GLU . 53.5 t -65.02 -38.32 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.25 -11.52 22.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -90.99 -21.1 21.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 118.11 18.25 5.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.7 p -99.87 163.3 12.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.506 ' O ' ' HB1' ' B' ' 271' ' ' ALA . 12.1 p -100.51 148.11 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.49 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' B' ' 269' ' ' GLU . . . -52.09 -53.23 44.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.531 ' OE1' ' NH2' ' B' ' 211' ' ' ARG . 1.5 mp0 -36.01 -53.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.484 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . 0.46 ' H ' HG12 ' B' ' 267' ' ' VAL . 4.3 m95 -83.32 -38.22 22.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.492 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' B' ' 267' ' ' VAL . . . -51.95 -53.65 38.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.614 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.405 ' O ' ' HB ' ' B' ' 276' ' ' ILE . 12.1 m -64.53 -32.49 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.51 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -72.16 -47.79 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.56 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 94.1 m -63.42 -59.29 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . . . . . . . . . 76.4 t -50.92 -57.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' B' ' 272' ' ' VAL . 72.5 mt -54.38 -44.18 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.35 -38.76 88.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -64.07 -36.66 84.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.595 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -35.25 77.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.53 81.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.63 -37.33 79.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.11 -44.61 88.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.551 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -54.18 -47.0 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.655 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.36 84.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -40.5 -38.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.16 151.33 43.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.23 -45.29 11.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.648 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.526 ' HB3' ' CG ' ' B' ' 291' ' ' LEU . 0.4 OUTLIER -41.36 130.3 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . 0.518 ' ND2' ' N ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -77.34 -41.11 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.489 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . 0.825 ' O ' ' OE2' ' B' ' 293' ' ' GLU . 19.3 t80 -39.94 -27.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.493 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.618 ' O ' ' N ' ' B' ' 294' ' ' ARG . 0.0 OUTLIER -95.84 -49.12 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' B' ' 291' ' ' LEU . 47.9 mttm -31.2 -50.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.387 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . 0.825 ' OE2' ' O ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -65.73 -41.37 92.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.444 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' B' ' 291' ' ' LEU . 0.4 OUTLIER -52.85 -35.12 57.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.442 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -46.16 -46.13 17.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.42 -40.88 24.03 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . 0.536 ' HB3' ' CZ ' ' B' ' 245' ' ' TYR . 5.6 m-20 -63.66 -38.25 90.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.409 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -48.5 75.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.351 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . 0.548 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 0.2 OUTLIER -51.06 -36.8 41.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.338 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' B' ' 303' ' ' GLN . . . -65.36 -36.45 84.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.402 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 3.1 tt -52.52 -48.47 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.367 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . 0.656 ' O ' HD12 ' B' ' 306' ' ' LEU . . . -60.29 -41.35 98.32 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . 0.852 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.4 OUTLIER -70.03 -43.23 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.449 179.751 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.852 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 4.1 mmm180 -65.14 -41.64 94.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.42 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.67 -35.81 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.41 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . 0.656 HD12 ' O ' ' B' ' 302' ' ' GLY . 9.4 mt -64.21 -39.48 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.44 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . 0.672 ' O ' ' CD1' ' B' ' 307' ' ' PHE . 0.1 OUTLIER -67.17 -37.87 84.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.46 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . 0.755 ' ND1' ' O ' ' B' ' 304' ' ' ARG . 42.8 m80 -75.51 -28.19 59.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.48 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . 0.656 ' CD1' ' NE ' ' B' ' 211' ' ' ARG . 0.1 OUTLIER -83.62 -10.05 58.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -133.84 71.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.572 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.65 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 10.6 ptm85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.818 0.342 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.65 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 26.1 m-85 -171.64 171.31 5.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' B' ' 184' ' ' GLU . 0.0 OUTLIER -116.19 139.92 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.441 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 2.1 tp -78.83 119.42 22.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 82.3 t -118.79 95.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.523 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -137.13 169.86 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 46.3 p30 -82.62 -26.37 32.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 19.2 tt0 -148.92 127.46 12.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.835 ' H ' ' CD2' ' B' ' 330' ' ' LEU . 1.5 pt? -80.72 131.93 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.517 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 331' ' ' SER . . . . . 0.533 ' O ' ' OG1' ' B' ' 334' ' ' THR . 47.7 t -138.39 140.35 39.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.69 92.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.487 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 333' ' ' THR . . . . . 0.525 ' HG1' ' HG ' ' B' ' 331' ' ' SER . 40.5 p -54.55 -44.01 72.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.569 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 334' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' B' ' 331' ' ' SER . 33.2 p -64.96 -48.83 72.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.576 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' B' ' 337' ' ' GLU . 95.1 mt -58.57 -32.85 69.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -66.59 5.75 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' B' ' 335' ' ' LEU . 4.8 mm-40 -99.9 -39.66 8.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.516 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 5.4 mt -107.29 151.42 40.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' B' ' 341' ' ' ASP . 51.2 Cg_endo -73.0 137.82 27.24 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.855 2.37 . . . . 0.0 112.127 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . 0.587 ' CD ' ' O ' ' B' ' 340' ' ' GLN . 25.3 tm0? -66.0 -2.1 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' B' ' 339' ' ' PRO . 9.0 m-20 -74.54 -39.55 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.458 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.441 HH21 ' HD3' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -85.06 -17.86 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.46 101.09 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.515 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 27.9 m -118.3 17.33 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.598 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 168.81 153.08 8.09 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 6.7 t -139.24 150.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.578 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . 0.447 HG12 ' O ' ' B' ' 347' ' ' VAL . 7.3 p -157.83 124.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.482 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.633 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 21.6 m -124.52 161.4 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . 0.491 ' HD2' HH21 ' B' ' 349' ' ' ARG . 8.4 ttm180 -83.66 -38.74 21.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.472 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.806 ' O ' ' O ' ' B' ' 351' ' ' GLY . 0.0 OUTLIER -133.32 -72.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.645 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . 0.806 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 43.37 129.71 0.0 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.45 147.06 49.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.384 . . . . 0.0 110.447 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -91.88 -17.15 25.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -101.27 0.78 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 77.8 p -65.71 149.67 49.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . 0.46 ' NE2' ' OD1' ' B' ' 297' ' ' ASP . 19.4 pt20 -55.07 -38.26 67.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.63 90.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.37 82.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 3.4 mm -68.55 -31.88 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 37.1 ttp -65.3 -41.4 94.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 1.5 t -63.48 -41.73 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -59.42 -39.93 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -78.21 -27.76 47.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.42 -34.42 78.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.51 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 91.77 20.44 37.04 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . 0.688 HG13 ' HD2' ' B' ' 367' ' ' PRO . 2.4 tp -107.56 138.66 20.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 110.633 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . 0.688 ' HD2' HG13 ' B' ' 366' ' ' ILE . 54.8 Cg_endo -73.63 138.6 26.88 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.777 2.318 . . . . 0.0 112.158 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 85.4 m -146.32 144.7 29.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.527 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 2.2 m -125.38 154.29 33.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.643 ' O ' ' CB ' ' B' ' 173' ' ' ALA . 10.2 mtp -131.83 161.24 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.637 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 97.67 -5.33 62.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -51.46 111.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 48.9 p-10 -102.53 55.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.545 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 6.4 mt -130.09 135.6 60.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.557 ' N ' ' OE1' ' B' ' 375' ' ' GLN . 0.4 OUTLIER -73.65 118.08 66.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.605 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.1 -20.84 2.41 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.848 2.365 . . . . 0.0 112.162 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 46.5 t -57.13 -46.81 82.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 4.0 p -74.54 -34.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' B' ' 381' ' ' ARG . 3.1 mt -62.14 -29.81 70.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.522 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.6 ' C ' ' O ' ' B' ' 379' ' ' LEU . 2.8 m-70 22.7 -86.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.516 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' B' ' 379' ' ' LEU . 64.0 mtm-85 -139.38 24.59 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . 0.456 ' NH2' ' OD2' ' B' ' 396' ' ' ASP . 13.2 mmt180 -65.08 164.55 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 6.2 m -80.58 126.04 30.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.626 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 394' ' ' LEU . 0.5 OUTLIER -131.71 116.16 16.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.574 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 385' ' ' ILE . 9.6 pt -101.04 115.4 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.599 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 88.6 t -94.85 139.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' B' ' 391' ' ' GLY . 52.5 t0 -133.28 85.88 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.533 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.45 -44.32 28.45 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -52.45 -46.07 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.532 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -95.16 -6.11 42.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 46.27 59.93 4.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.98 171.29 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.66 128.5 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.516 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.529 ' O ' HD23 ' B' ' 384' ' ' LEU . 1.3 mt -112.21 157.55 20.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.67 ' O ' ' C ' ' B' ' 396' ' ' ASP . 8.8 p -114.55 123.59 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.478 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.67 ' C ' ' O ' ' B' ' 395' ' ' VAL . 48.1 p-10 -3.76 74.3 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.662 ' N ' ' O ' ' B' ' 395' ' ' VAL . 39.6 Cg_endo . . . . . 0 C--N 1.305 -1.76 0 C-N-CA 122.847 2.365 . . . . 0.0 112.181 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptt? . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.592 ' HG1' ' HZ2' ' A' ' 4' ' ' LYS . 67.6 p -83.67 158.97 21.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.7 t -132.9 117.66 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.645 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -122.8 174.85 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.594 HE22 ' HB ' ' A' ' 80' ' ' ILE . 5.3 pt20 -163.12 134.17 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.53 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -82.23 125.54 31.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -127.2 125.65 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.56 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -82.03 127.36 33.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.8 mm -89.7 105.13 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 p -82.8 56.47 3.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 62.79 26.19 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.481 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 14' ' ' GLY . 1.1 ttmp? -167.58 98.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mp -62.56 -3.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.535 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.559 ' O ' ' HB2' ' A' ' 15' ' ' MET . . . 112.03 25.66 4.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 1.093 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.6 mtm 83.95 33.22 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.608 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.731 ' O ' ' SD ' ' A' ' 21' ' ' MET . 0.4 OUTLIER -13.42 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.455 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 1.093 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -51.29 -10.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.493 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.758 ' H ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -136.67 -51.98 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.498 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.758 ' HD2' ' H ' ' A' ' 18' ' ' ARG . 51.4 Cg_exo -49.54 -60.34 0.89 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.921 2.414 . . . . 0.0 112.123 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.539 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -55.87 -45.38 78.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.731 ' SD ' ' O ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -66.75 -43.86 82.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -60.99 -37.32 82.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -49.39 -47.73 47.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.617 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 16.5 m-85 -55.45 -39.48 70.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.467 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -73.48 -34.38 65.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.52 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' A' ' 30' ' ' PHE . 85.3 mt -67.26 -44.04 80.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.628 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.609 ' CE ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -54.86 -34.05 62.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -79.19 -32.76 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.574 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.91 -33.99 31.9 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' A' ' 26' ' ' LEU . 16.3 m-85 -103.54 158.88 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.595 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 41.0 t0 -101.44 93.62 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.683 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.834 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 168.17 156.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.463 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -100.93 129.49 46.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.508 ' N ' ' HE1' ' A' ' 27' ' ' MET . 90.6 t -106.62 133.72 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.1 mt -134.19 138.08 44.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.51 149.92 27.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.484 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.468 HH21 ' HD2' ' A' ' 37' ' ' ARG . 37.6 mtm180 -146.39 135.38 22.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.44 ' HB2' ' HG1' ' A' ' 42' ' ' THR . 4.9 m120 -92.9 154.84 17.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -27.88 16.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.553 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -68.27 -11.03 58.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.75 11.32 59.27 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.44 ' HG1' ' HB2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -84.24 117.22 23.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.332 . . . . 0.0 110.619 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.25 102.78 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.558 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.66 65.6 7.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -40.98 121.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.617 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.58 -9.07 11.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -100.23 27.24 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -145.94 124.5 12.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.512 ' O ' HD11 ' A' ' 53' ' ' LEU . 7.3 p -63.89 -35.91 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.75 -37.52 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.593 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.14 92.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.618 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 20' ' ' ALA . 41.5 tp -57.88 -38.47 75.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.839 HD11 ' N ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.3 -36.07 82.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.7 mtt -67.41 -40.3 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.15 -35.74 75.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -52.44 -34.27 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.4 t -77.87 -6.4 54.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.04 29.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.64 ' CB ' ' HZ1' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -69.67 96.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.18 4.66 38.23 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -105.35 164.63 11.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 0.0 110.606 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -98.08 143.68 28.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 pt -131.23 162.07 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.595 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.455 ' OE2' ' HB2' ' A' ' 4' ' ' LYS . 19.6 tp10 -124.0 101.36 7.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 89.0 t -81.05 128.15 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -120.33 138.41 53.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.28 130.85 31.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 t -123.98 128.73 49.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.468 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.834 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 142.64 161.29 8.72 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.67 ' O ' ' OE2' ' A' ' 73' ' ' GLU . 54.7 Cg_exo -46.91 -44.56 22.41 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.839 2.359 . . . . 0.0 112.127 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 74' ' ' GLU . 14.5 mm100 -93.94 5.87 50.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 16.7 pt-20 -37.13 -36.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.671 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.67 ' OE2' ' O ' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -64.6 -49.75 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' GLN . 36.2 tp10 -56.91 -52.12 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.17 -49.45 71.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.474 ' C ' ' CD2' ' A' ' 76' ' ' LEU . 6.3 tt -64.7 -44.53 89.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 80' ' ' ILE . . . -62.43 -42.27 99.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.98 99.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.88 -42.74 89.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.548 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.594 ' HB ' HE22 ' A' ' 5' ' ' GLN . 0.8 OUTLIER -64.43 -41.08 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.546 ' N ' HG23 ' A' ' 80' ' ' ILE . . . -64.18 -35.59 81.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -73.61 -39.23 64.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.472 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.714 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.02 -24.05 61.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.512 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -89.03 -3.18 58.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.559 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . 0.495 ' H ' ' HA ' ' B' ' 394' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.48 129.48 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.659 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -84.13 103.18 13.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -101.23 159.62 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.4 119.64 77.52 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.51 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.51 107.13 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.912 2.408 . . . . 0.0 112.195 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -89.44 -34.03 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.608 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -138.75 102.37 7.77 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.14 135.45 18.88 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.82 2.346 . . . . 0.0 112.143 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 143.46 171.24 13.63 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.42 159.35 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.301 . . . . 0.0 110.619 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -163.72 147.26 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 1.4 pp -129.49 128.73 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.617 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 177.78 177.32 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' B' ' 184' ' ' GLU . 2.2 pm0 -81.03 165.99 21.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -99.45 134.05 11.53 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . 0.435 ' HB3' ' O ' ' B' ' 324' ' ' ILE . 80.9 t90 -110.57 102.86 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.731 0.301 . . . . 0.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' B' ' 187' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 70.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.784 0.326 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.614 ' N ' ' CD2' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -82.93 136.04 34.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.712 ' OD1' ' OE2' ' B' ' 208' ' ' GLU . 1.2 p30 -153.49 77.01 6.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.615 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.22 -24.75 3.92 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.789 2.326 . . . . 0.0 112.11 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -78.37 -48.75 14.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.489 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' B' ' 211' ' ' ARG . 74.9 mt -80.41 -42.98 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.712 ' OE2' ' OD1' ' B' ' 204' ' ' ASP . 0.6 OUTLIER -59.16 -59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.489 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -55.78 -45.33 78.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -68.38 -40.66 81.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' B' ' 207' ' ' LEU . 34.9 mtp180 -55.84 -44.09 77.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.469 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.83 -50.38 56.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.469 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 27.8 m -53.59 -47.99 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.75 -35.7 92.36 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.37 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.506 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.74 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.6 OUTLIER -58.46 -42.53 87.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.54 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.607 ' HG2' ' ND2' ' B' ' 221' ' ' ASN . 0.0 OUTLIER -58.83 -27.09 64.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.515 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -92.58 -33.48 14.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.445 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . 0.678 ' O ' ' HG3' ' B' ' 222' ' ' GLU . . . -91.17 -36.38 13.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -72.85 -51.76 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.518 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.607 ' ND2' ' HG2' ' B' ' 217' ' ' GLU . 88.8 m-20 -59.32 -44.69 92.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.678 ' HG3' ' O ' ' B' ' 219' ' ' ALA . 0.0 OUTLIER -62.03 -39.13 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.413 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . 0.521 ' H ' ' HG3' ' B' ' 222' ' ' GLU . 0.2 OUTLIER -64.04 -52.22 60.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 28.6 ttm105 -66.26 -38.77 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.512 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -66.68 -34.25 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.65 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 10.5 m-30 -59.69 -47.97 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.523 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.72 -48.72 40.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -59.2 -36.89 76.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . 0.407 ' NH1' ' CD1' ' B' ' 226' ' ' TYR . 3.6 ttm-85 -66.78 -43.28 84.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -71.07 -40.22 71.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.07 -31.93 61.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -53.76 -18.82 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . 0.917 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -157.09 -97.67 0.13 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.917 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . 7.5 -140.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.568 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.484 ' O ' ' OG1' ' B' ' 238' ' ' THR . 20.6 pt20 -128.13 179.21 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -73.23 -30.86 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.466 ' OE1' ' NE2' ' B' ' 235' ' ' GLN . 2.8 tt0 -57.04 -35.61 69.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.583 ' O ' HG12 ' B' ' 241' ' ' ILE . 39.9 p -63.26 -56.87 12.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -68.88 -26.97 65.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.43 99.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . 0.683 HG13 ' H ' ' B' ' 242' ' ' PHE . 21.9 pt -73.38 -54.6 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.683 ' H ' HG13 ' B' ' 241' ' ' ILE . 22.8 m-85 -52.97 -65.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 242' ' ' PHE . 19.9 t70 -38.23 -37.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . 0.67 HD21 ' O ' ' B' ' 244' ' ' LEU . 4.8 tt -71.51 -42.24 68.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.793 ' HH ' ' N ' ' B' ' 298' ' ' LEU . 2.0 m-85 -68.74 -37.13 79.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 74.0 m -47.42 -47.56 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.601 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.583 ' HA ' ' HG ' ' B' ' 250' ' ' SER . 0.0 OUTLIER -81.46 -20.35 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.626 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 5.2 tt -66.1 -50.4 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' B' ' 250' ' ' SER . 0.3 OUTLIER -79.65 -36.99 36.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.653 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 250' ' ' SER . . . . . 0.583 ' HG ' ' HA ' ' B' ' 247' ' ' HIS . 27.7 p -67.24 -20.17 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.752 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 53.3 p30 -49.7 133.11 21.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 252' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' B' ' 256' ' ' ARG . 0.2 OUTLIER -58.81 4.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.613 ' H ' ' C ' ' B' ' 251' ' ' ASP . 5.7 mtm-85 -87.54 -43.57 11.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 17.8 tp -59.72 -51.93 67.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.619 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' B' ' 250' ' ' SER . 0.0 OUTLIER -66.41 -42.62 87.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' B' ' 252' ' ' THR . 9.3 tmm_? -55.07 -49.77 70.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.613 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -58.8 -45.27 90.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . 0.446 ' CD2' HG21 ' B' ' 275' ' ' VAL . 29.2 mt -59.92 -54.96 40.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.591 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -57.88 -35.96 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.7 86.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . 0.424 ' C ' ' HG ' ' B' ' 266' ' ' SER . 76.9 mm-40 -65.4 -37.59 87.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.517 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . 0.472 ' HA ' ' HG ' ' B' ' 266' ' ' SER . 98.1 t -64.33 -38.41 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.598 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -57.67 -18.23 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.524 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -93.52 -24.88 17.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.557 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.47 24.93 1.69 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 266' ' ' SER . . . . . 0.472 ' HG ' ' HA ' ' B' ' 262' ' ' VAL . 53.1 p -95.19 158.46 15.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.604 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 28.2 t -104.06 148.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -49.53 -40.47 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.421 ' CD ' HH12 ' B' ' 211' ' ' ARG . 2.3 mp0 -52.85 -48.63 66.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -82.45 -34.17 28.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.506 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.454 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -55.2 -50.89 68.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.482 ' O ' HG12 ' B' ' 276' ' ' ILE . 32.9 m -63.42 -33.8 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . 0.476 ' O ' HG12 ' B' ' 276' ' ' ILE . 30.6 ttpt -73.56 -48.68 31.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 33.9 p -61.08 -53.98 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.454 HG22 ' O ' ' B' ' 271' ' ' ALA . 53.6 t -49.55 -61.58 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.469 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.547 HG13 ' N ' ' B' ' 277' ' ' GLU . 36.2 pt -53.89 -38.88 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.465 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.65 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 4.3 mm-40 -66.12 -44.08 85.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.01 -37.89 84.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -73.48 -30.35 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.86 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.65 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 5.5 mp0 -69.12 -47.66 64.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -64.1 -32.7 74.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.542 ' O ' HD22 ' B' ' 291' ' ' LEU . 0.8 OUTLIER -63.63 -52.52 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -64.2 -45.49 88.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.565 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -36.21 -39.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.63 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.486 ' O ' ' O ' ' B' ' 284' ' ' ALA . 1.0 OUTLIER -67.04 161.69 23.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.575 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 10.6 m -106.88 -24.75 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.442 ' OD2' ' HB3' ' B' ' 286' ' ' LEU . 0.0 OUTLIER -43.88 125.86 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.619 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -65.17 -50.7 64.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.466 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . 0.404 ' CE2' ' NE2' ' A' ' 16' ' ' HIS . 5.8 t80 -49.39 -23.19 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.546 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.542 HD22 ' O ' ' B' ' 283' ' ' PHE . 0.0 OUTLIER -84.9 -62.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.473 ' N ' ' CG ' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -38.38 -39.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.482 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -71.97 -47.42 52.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.365 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 291' ' ' LEU . 60.0 mtp180 -59.72 -27.94 66.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.408 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -50.18 -46.2 54.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -47.31 -43.73 19.84 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . 0.468 ' HB3' ' CE1' ' B' ' 245' ' ' TYR . 4.6 m-20 -64.63 -38.96 92.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 110.349 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . 0.793 ' N ' ' HH ' ' B' ' 245' ' ' TYR . 1.1 tt -54.52 -54.02 46.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.454 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . 0.403 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 5.5 tmm_? -52.02 -39.61 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.317 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' B' ' 303' ' ' GLN . . . -65.62 -38.29 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.289 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -46.22 72.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.417 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.96 -41.45 98.65 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . 0.528 ' HG2' ' N ' ' B' ' 304' ' ' ARG . 1.2 pt20 -67.62 -39.39 84.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.286 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.528 ' N ' ' HG2' ' B' ' 303' ' ' GLN . 6.5 mmm-85 -66.31 -42.68 87.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.364 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 3.2 tt -69.44 -35.08 75.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.385 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -42.28 97.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.433 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' B' ' 310' ' ' ASP . 1.4 m-85 -62.95 -43.31 99.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.462 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -69.19 -23.12 63.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.464 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.23 -14.57 39.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' B' ' 307' ' ' PHE . 0.4 OUTLIER -113.45 118.45 34.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.538 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.581 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.421 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 19.5 mtp85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.76 0.314 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 172.58 148.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.69 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . 0.557 HG12 ' HA2' ' B' ' 185' ' ' GLY . 1.9 pt -113.14 158.38 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.575 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 59.8 mt -89.93 130.7 36.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.654 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 4.1 t -134.4 96.09 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.18 149.03 48.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -63.5 -30.09 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.554 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.16 131.08 38.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.537 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.19 140.46 31.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.54 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 45.8 t -142.74 124.26 14.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.81 -41.36 70.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 333' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' B' ' 300' ' ' ALA . 90.5 m -59.85 -46.05 90.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 86.4 m -58.19 -53.52 57.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.487 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.4 OUTLIER -54.62 -31.81 57.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.512 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -72.67 16.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' B' ' 335' ' ' LEU . 96.1 mt-10 -109.01 -32.63 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.585 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.87 125.1 32.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.35 148.63 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.867 2.378 . . . . 0.0 112.083 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.17 -10.03 55.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -70.67 -42.0 71.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.528 ' HG3' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -78.8 -26.54 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.556 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.528 ' N ' ' HG3' ' B' ' 342' ' ' ARG . 18.0 tp -66.97 104.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 10.7 t -122.33 3.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.522 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . 0.525 ' H ' HD11 ' B' ' 343' ' ' LEU . . . 179.79 161.41 26.99 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 96.7 t -141.32 141.0 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 59.4 t -146.32 121.21 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.464 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 69.0 t -119.54 152.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.565 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . 0.519 ' HE ' ' C ' ' B' ' 373' ' ' ASP . 1.6 tpt180 -84.66 -40.69 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.61 ' O ' ' C ' ' B' ' 351' ' ' GLY . 5.1 t70 -135.54 -84.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 20.42 62.33 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . 0.661 ' O ' ' CB ' ' B' ' 353' ' ' ALA . . . -83.69 175.54 9.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 110.531 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . 0.661 ' CB ' ' O ' ' B' ' 352' ' ' ALA . . . 93.75 -170.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.599 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . 0.778 ' O ' ' O ' ' B' ' 355' ' ' SER . 7.3 p-10 -73.31 -38.93 65.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 355' ' ' SER . . . . . 0.778 ' O ' ' O ' ' B' ' 354' ' ' ASN . 0.1 OUTLIER 36.11 114.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' B' ' 355' ' ' SER . 5.6 mp0 -38.22 -39.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.3 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 355' ' ' SER . . . -58.32 -46.92 85.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.406 HG21 HD12 ' B' ' 359' ' ' ILE . 13.9 tt -72.02 -26.21 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -67.01 -49.48 65.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.554 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . 0.405 HG21 ' N ' ' B' ' 362' ' ' ARG . 16.7 m -63.19 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.581 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.422 HH21 ' HD3' ' B' ' 362' ' ' ARG . 12.2 mtm-85 -59.05 -52.01 67.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.56 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.48 -27.07 68.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.457 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -30.7 68.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 88.11 29.7 19.34 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 96.5 mt -108.55 126.35 29.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.658 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.53 120.56 4.64 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.818 2.345 . . . . 0.0 112.121 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 91.8 m -142.62 145.43 33.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.551 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 19.2 m -141.07 154.33 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.642 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 370' ' ' MET . . . . . . . . . . . . . 6.1 ptp -135.73 171.0 15.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.497 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 84.98 3.76 87.55 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . 0.514 ' O ' ' NE ' ' B' ' 349' ' ' ARG . . . -53.6 115.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.752 0.31 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . 0.519 ' C ' ' HE ' ' B' ' 349' ' ' ARG . 74.6 m-20 -79.96 28.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.546 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . 0.516 ' N ' ' HE ' ' B' ' 349' ' ' ARG . 6.7 tp -126.08 128.28 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.576 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.52 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 1.3 mp0 -77.49 151.76 80.66 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -72.71 -16.11 26.74 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.892 2.394 . . . . 0.0 112.083 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 28.9 t -64.98 -37.07 86.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.448 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' B' ' 378' ' ' VAL . 24.9 t -92.03 23.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.71 ' O ' ' N ' ' B' ' 381' ' ' ARG . 61.9 mt -125.95 -21.71 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' B' ' 185' ' ' GLY . 2.3 t-160 23.29 -82.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' B' ' 379' ' ' LEU . 9.3 ptp180 -144.28 25.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -65.86 173.48 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.547 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 70.9 p -82.79 127.18 33.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.564 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 4.4 tt -124.68 148.37 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.75 103.26 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 9.3 p -92.21 147.06 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.551 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.649 ' O ' ' N ' ' B' ' 391' ' ' GLY . 66.7 t0 -135.04 76.69 1.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -48.06 -42.56 23.67 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -49.58 -47.21 49.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.481 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' B' ' 390' ' ' ARG . 9.8 tpp180 -105.37 -0.19 26.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.649 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 51.98 44.02 55.89 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -112.01 150.12 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' B' ' 170' ' ' ARG . 3.0 tt -126.49 118.99 26.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.495 ' HA ' ' H ' ' B' ' 170' ' ' ARG . 11.1 mp -106.51 150.88 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.586 ' O ' ' C ' ' B' ' 396' ' ' ASP . 58.9 t -122.31 101.99 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.586 ' C ' ' O ' ' B' ' 395' ' ' VAL . 39.0 t70 24.44 59.82 0.39 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.564 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo . . . . . 0 C--N 1.306 -1.661 0 C-N-CA 122.879 2.386 . . . . 0.0 112.077 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.6 p -83.05 159.04 22.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.558 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 2.6 p -132.98 119.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.453 ' HD2' HH12 ' A' ' 37' ' ' ARG . 4.9 pttp -127.41 172.4 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -161.46 134.04 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.481 ' OG1' ' NE2' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -79.21 128.91 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -129.64 124.03 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.29 127.35 32.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.541 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mm -90.6 105.79 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.667 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.7 p -83.14 57.16 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.473 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 11' ' ' ASN . 6.8 t-20 61.18 26.84 16.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 8.5 ttpt -167.33 98.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.83 ' H ' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.36 -5.26 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.684 ' O ' ' SD ' ' A' ' 15' ' ' MET . . . 153.8 -67.53 0.31 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.684 ' SD ' ' O ' ' A' ' 14' ' ' GLY . 0.5 OUTLIER -152.75 -163.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.704 0.288 . . . . 0.0 110.501 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 31.1 m80 -43.61 -38.51 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.483 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.592 ' HB1' HH11 ' A' ' 18' ' ' ARG . . . 159.97 5.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.886 ' N ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -53.98 -47.19 97.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.654 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.6 Cg_exo -47.36 -55.75 3.66 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.793 2.328 . . . . 0.0 112.07 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.22 -47.74 82.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.496 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.525 ' SD ' ' O ' ' B' ' 240' ' ' ALA . 41.7 mtm -65.84 -41.64 91.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.448 ' NZ ' ' HB3' ' A' ' 18' ' ' ARG . 48.6 mttp -62.51 -37.63 86.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -50.04 -45.64 52.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.605 ' CE2' ' NE2' ' B' ' 247' ' ' HIS . 2.6 m-85 -55.9 -40.82 73.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -72.0 -35.92 69.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.471 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 22' ' ' LYS . 9.5 mp -66.94 -42.72 84.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 ttp -55.85 -31.42 62.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -83.56 -29.74 27.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.69 -31.75 29.06 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -106.91 153.73 22.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.669 0.271 . . . . 0.0 110.638 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 59.0 t0 -96.12 95.17 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.734 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 167.95 156.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.58 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -101.83 128.25 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.5 t -105.7 134.64 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mp -136.08 137.74 41.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' C ' ' HG3' ' A' ' 37' ' ' ARG . 2.0 tt -106.84 151.6 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.689 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.453 HH12 ' HD2' ' A' ' 4' ' ' LYS . 54.5 mtm180 -147.92 134.08 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -91.8 155.58 18.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.456 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -52.49 -28.28 19.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.62 -11.46 58.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.76 11.53 59.01 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -84.25 117.48 23.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.352 . . . . 0.0 110.492 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.08 103.19 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.617 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.18 64.79 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -40.34 121.33 1.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -9.61 12.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -99.77 27.41 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.58 124.18 12.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.27 -35.46 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.9 tt -61.81 -36.5 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.79 89.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.547 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.29 -38.39 80.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.844 HD11 ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -65.72 -34.0 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.537 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.844 ' N ' HD11 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -70.71 -35.03 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 51.2 tp -64.51 -34.98 79.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' OD2' ' OD2' ' B' ' 288' ' ' ASP . 5.4 m-20 -53.45 -35.0 60.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -75.99 -7.07 53.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.633 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.06 29.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -69.31 97.3 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.11 6.93 38.92 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.03 164.51 12.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.606 ' NE2' ' O ' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -97.53 142.37 29.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.623 HG12 ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -130.39 161.06 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.639 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.623 ' N ' HG12 ' A' ' 63' ' ' ILE . 17.2 mp0 -123.32 101.44 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.555 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 7.9 m -81.37 128.16 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -120.67 138.58 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 3' ' ' VAL . . . -137.52 131.04 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -123.95 129.43 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.734 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 142.19 162.32 9.16 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.83 -45.11 25.3 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.857 2.372 . . . . 0.0 112.059 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 72' ' ' GLU . 34.0 mt-30 -94.3 7.2 46.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.507 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 19.5 pt-20 -38.44 -36.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 14.5 pt-20 -64.3 -49.2 72.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 33.9 tp10 -57.24 -51.95 67.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.655 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.513 ' O ' HG12 ' A' ' 79' ' ' VAL . . . -55.2 -49.26 72.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.99 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.8 OUTLIER -64.83 -44.03 91.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.501 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.83 99.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.97 97.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.45 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 76' ' ' LEU . 2.5 m -66.38 -42.67 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.434 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.505 ' N ' ' CG2' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -64.53 -41.85 93.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.474 ' N ' HG23 ' A' ' 80' ' ' ILE . . . -63.72 -35.64 81.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.466 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.7 mt -73.85 -38.12 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 13' ' ' LEU . 12.7 m-30 -69.47 -31.6 69.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.564 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.437 ' O ' ' CB ' ' A' ' 85' ' ' SER . 8.8 m120 -82.37 -4.83 58.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.1 t . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . 0.464 ' HB3' HH21 ' B' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 59.6 mt -131.59 130.02 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.766 ' HE ' ' N ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -80.72 113.51 18.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' B' ' 391' ' ' GLY . . . -116.84 159.07 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 370' ' ' MET . 58.3 mt -74.53 118.55 70.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.496 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -73.25 106.12 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.746 2.297 . . . . 0.0 112.131 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . 0.577 ' CB ' ' SD ' ' B' ' 370' ' ' MET . . . -83.86 -36.68 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . 0.432 ' HB2' ' H ' ' B' ' 368' ' ' THR . . . -135.84 133.31 19.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.416 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.04 143.27 40.09 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.787 2.325 . . . . 0.0 112.067 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 134.98 161.93 9.59 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 386' ' ' VAL . 7.8 p -129.93 148.21 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 0.0 110.523 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -156.64 155.04 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.518 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . 0.462 ' O ' ' NH2' ' B' ' 322' ' ' ARG . 4.3 tt -124.89 128.29 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -173.49 175.18 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' B' ' 382' ' ' ARG . 93.3 mt-10 -85.3 163.74 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -104.78 126.59 8.76 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . 0.605 ' C ' ' CD1' ' B' ' 186' ' ' TRP . 0.0 OUTLIER -110.1 159.5 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.719 0.295 . . . . 0.0 110.587 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.572 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 53.3 p . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.751 0.31 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -71.81 141.29 49.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' B' ' 208' ' ' GLU . 3.4 m-20 -159.31 60.68 1.63 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.617 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . 0.564 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 52.7 Cg_exo -47.6 -30.67 12.71 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.865 2.377 . . . . 0.0 112.122 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -78.49 -52.28 8.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.456 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . 0.567 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 1.9 tp -74.77 -29.76 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.546 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' B' ' 204' ' ' ASP . 52.9 mm-40 -78.54 -55.97 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . 0.564 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 0.2 OUTLIER -50.94 -53.23 34.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.503 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . 0.459 ' HA ' ' HG1' ' B' ' 213' ' ' THR . 14.8 pt-20 -64.55 -39.15 93.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.501 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.605 ' NH2' ' OE2' ' B' ' 269' ' ' GLU . 14.6 ttt-85 -56.87 -43.23 81.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.471 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 30.6 mt -66.96 -57.3 7.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 213' ' ' THR . . . . . 0.549 ' O ' ' OE2' ' B' ' 217' ' ' GLU . 77.6 p -49.76 -51.14 41.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -59.02 -36.67 89.45 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.68 -45.34 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.424 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.666 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.6 OUTLIER -56.46 -52.59 64.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.437 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 1.0 OUTLIER -53.6 -30.91 44.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.457 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -75.76 -36.37 59.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.445 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -93.14 -48.93 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -54.94 -49.03 72.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.512 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.566 ' C ' ' HE ' ' B' ' 225' ' ' ARG . 89.9 m-20 -63.78 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.46 ' O ' ' CD1' ' B' ' 226' ' ' TYR . 34.3 tt0 -62.78 -46.62 87.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.499 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -68.35 -43.34 77.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . 0.42 HH21 ' HD3' ' B' ' 224' ' ' ARG . 12.2 ttp180 -63.97 -49.14 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.453 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . 0.566 ' HE ' ' C ' ' B' ' 221' ' ' ASN . 90.1 mtm180 -66.23 -30.02 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 1.3 m-85 -59.62 -44.24 93.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.562 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 69.4 m -48.96 -40.49 30.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -61.56 -23.95 66.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -76.29 -46.68 26.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . 0.491 ' CE2' ' CB ' ' B' ' 239' ' ' ALA . 0.0 OUTLIER -51.23 -39.45 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -40.34 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -66.02 -39.54 90.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.588 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -86.56 -125.59 1.87 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -165.19 41.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.519 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.508 ' OE1' ' HB1' ' B' ' 363' ' ' ALA . 0.0 OUTLIER -111.59 89.74 3.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.621 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -62.47 -20.12 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.514 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -62.23 -45.61 92.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.516 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.413 ' CG2' ' SD ' ' B' ' 360' ' ' MET . 28.6 p -62.0 -54.57 39.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . 0.491 ' CB ' ' CE2' ' B' ' 230' ' ' PHE . . . -58.27 -46.15 86.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . 0.525 ' O ' ' SD ' ' A' ' 21' ' ' MET . . . -61.37 -45.31 94.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.479 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.85 -52.96 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.523 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' B' ' 245' ' ' TYR . 10.9 m-30 -56.82 -57.07 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.584 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' B' ' 242' ' ' PHE . 4.5 t70 -33.66 -46.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . 0.533 ' O ' HD21 ' B' ' 244' ' ' LEU . 1.8 tt -77.65 -39.46 45.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' B' ' 242' ' ' PHE . 8.5 t80 -55.0 -53.31 57.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 83.6 p -52.83 -50.17 64.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.605 ' NE2' ' CE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -67.33 -32.23 73.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.68 -46.34 79.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . 0.577 ' O ' ' NH2' ' B' ' 255' ' ' ARG . 8.7 mp -70.66 -43.32 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.617 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 89.3 p -78.65 -7.49 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.473 ' OD1' ' CZ ' ' B' ' 253' ' ' ARG . 42.0 t0 -46.67 115.94 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 252' ' ' THR . . . . . 0.622 ' OG1' ' NH1' ' B' ' 253' ' ' ARG . 9.7 p -52.27 -12.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.669 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.622 ' NH1' ' OG1' ' B' ' 252' ' ' THR . 0.1 OUTLIER -74.95 -52.58 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.471 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.97 -37.61 80.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.574 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' B' ' 249' ' ' LEU . 0.0 OUTLIER -60.72 -45.94 92.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -41.09 48.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.585 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . 0.425 ' OE2' ' CZ ' ' B' ' 279' ' ' PHE . 51.9 mt-10 -61.77 -45.07 95.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -64.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.557 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . 0.463 ' CE2' ' OD2' ' B' ' 263' ' ' ASP . 60.2 t80 -55.78 -36.66 67.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.597 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.05 97.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.544 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -70.4 -42.59 71.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.592 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.55 -38.12 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . 0.463 ' OD2' ' CE2' ' B' ' 259' ' ' PHE . 89.9 m-20 -59.48 -17.35 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.66 -20.8 23.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 119.92 22.48 3.25 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.5 m -98.28 155.97 16.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.781 0.325 . . . . 0.0 110.551 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.576 ' O ' ' HB3' ' B' ' 271' ' ' ALA . 3.4 t -98.6 148.61 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . 0.446 ' HA ' ' HB2' ' B' ' 271' ' ' ALA . . . -52.56 -52.1 56.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.55 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.605 ' OE2' ' NH2' ' B' ' 211' ' ' ARG . 0.9 OUTLIER -38.12 -59.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . 0.4 ' O ' ' HB3' ' B' ' 273' ' ' LYS . 0.7 OUTLIER -80.93 -35.56 32.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' B' ' 267' ' ' VAL . . . -52.21 -52.63 51.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.704 ' O ' HG12 ' B' ' 276' ' ' ILE . 18.3 m -70.7 -14.91 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 62.9 tttp -78.86 -33.55 45.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 274' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 278' ' ' LYS . 1.5 m -77.05 -57.94 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.576 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.711 ' CG2' ' H ' ' B' ' 276' ' ' ILE . 10.7 m -45.24 -60.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.711 ' H ' ' CG2' ' B' ' 275' ' ' VAL . 2.1 pp -56.14 -41.04 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.457 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 42.1 tp10 -67.27 -38.91 85.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' B' ' 274' ' ' THR . 35.4 ttpt -72.42 -31.61 65.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.65 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . 0.425 ' CZ ' ' OE2' ' B' ' 257' ' ' GLU . 2.3 m-85 -78.69 -29.03 45.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -74.88 -23.25 58.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.457 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 1.2 mp0 -85.64 -53.37 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.654 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -59.96 -41.58 92.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 5.1 m-30 -71.25 -48.6 50.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.597 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -78.29 7.6 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.684 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' B' ' 281' ' ' GLU . . . -97.47 -3.18 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.45 ' HG ' ' CD1' ' A' ' 53' ' ' LEU . 3.8 mm? -87.8 -168.74 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.616 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 55.4 m -116.26 -18.23 10.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.586 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 9.9 t0 -60.43 121.21 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -40.04 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -50.04 -41.2 47.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.73 ' CD1' ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.04 -53.61 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.476 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' B' ' 288' ' ' ASP . 19.1 ttmm -37.13 -54.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . 0.566 ' HG3' ' N ' ' B' ' 294' ' ' ARG . 0.3 OUTLIER -63.69 -38.49 91.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.427 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.566 ' N ' ' HG3' ' B' ' 293' ' ' GLU . 20.1 ttm180 -57.76 -31.19 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -42.1 -46.11 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -44.85 -39.94 6.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -67.19 -41.18 86.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.396 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.33 -53.74 53.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.226 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' B' ' 300' ' ' ALA . 0.0 OUTLIER -52.74 -36.78 58.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.148 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . 0.461 ' N ' ' HG2' ' B' ' 299' ' ' ARG . . . -65.07 -37.51 87.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.264 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . 0.708 ' HG ' ' N ' ' B' ' 302' ' ' GLY . 0.1 OUTLIER -48.5 -41.62 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.266 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . 0.708 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -63.53 -40.3 98.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -63.84 -40.66 97.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 110.218 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.4 ' HD3' HH21 ' B' ' 304' ' ' ARG . 6.9 mmm-85 -69.85 -41.07 75.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.204 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . 0.507 ' O ' HD11 ' B' ' 309' ' ' LEU . 1.0 OUTLIER -64.35 -39.53 94.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.28 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.67 -39.84 84.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.4 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -69.36 -43.37 73.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.436 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -74.09 -21.2 60.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.404 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . 0.507 HD11 ' O ' ' B' ' 305' ' ' LEU . 2.2 mt -72.78 -15.72 61.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.431 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -97.35 111.34 23.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' B' ' 182' ' ' ILE . 36.6 mtm105 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.805 0.336 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -155.65 159.04 39.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.501 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 47.8 mm -107.63 144.12 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.46 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 5.0 tp -83.54 110.78 18.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.711 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 3.3 t -110.12 97.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.66 150.45 48.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.537 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -70.49 -28.83 65.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -134.2 131.34 38.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.55 126.68 33.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.474 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 1.8 t -136.28 121.69 19.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.33 -41.69 85.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 333' ' ' THR . . . . . 0.483 HG23 ' H ' ' B' ' 334' ' ' THR . 0.6 OUTLIER -56.61 -40.92 76.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.561 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 334' ' ' THR . . . . . 0.483 ' H ' HG23 ' B' ' 333' ' ' THR . 94.5 m -60.58 -45.7 92.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.617 ' C ' ' H ' ' B' ' 337' ' ' GLU . 92.9 mt -57.51 -29.28 64.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.522 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -62.09 8.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.617 ' H ' ' C ' ' B' ' 335' ' ' LEU . 42.4 mm-40 -99.74 -39.64 8.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.683 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 14.9 mt -110.16 149.68 40.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.595 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.88 149.57 47.8 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.745 2.297 . . . . 0.0 112.098 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -69.49 -7.99 43.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.31 -37.3 63.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -89.13 -15.66 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 9.9 mt -84.65 100.55 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.491 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.39 33.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.711 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 146.42 158.27 7.69 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 11.0 m -146.42 151.55 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 95.3 t -140.74 137.23 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 8.8 p -137.12 152.79 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.636 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . 0.455 ' CG ' ' N ' ' B' ' 350' ' ' ASP . 2.7 ptm180 -98.56 -37.33 9.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.455 ' N ' ' CG ' ' B' ' 349' ' ' ARG . 33.5 t70 -134.48 77.71 1.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -126.97 137.38 9.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -71.72 148.18 46.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.814 0.34 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.58 -6.39 59.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -108.08 -13.77 14.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.595 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 10.8 p -46.13 146.03 1.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.5 -20.01 64.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . 0.446 ' O ' HG21 ' B' ' 361' ' ' VAL . . . -85.18 -42.49 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -65.88 -39.82 91.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.557 ' O ' ' HB2' ' B' ' 363' ' ' ALA . 14.0 tt -77.47 -22.0 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.621 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 360' ' ' MET . . . . . 0.54 ' O ' HD21 ' B' ' 364' ' ' LEU . 9.0 ttt -77.3 -43.39 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . 0.779 ' O ' HG21 ' B' ' 366' ' ' ILE . 17.3 m -65.79 -35.27 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.524 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' B' ' 176' ' ' ALA . 37.2 ttp180 -77.46 -33.07 54.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.655 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' B' ' 359' ' ' ILE . . . -67.62 -45.41 75.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.483 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . 0.659 ' CD2' ' HA ' ' B' ' 361' ' ' VAL . 2.9 pp -66.59 -29.19 69.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.672 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 97.71 72.07 1.07 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . 0.779 HG21 ' O ' ' B' ' 361' ' ' VAL . 2.4 tp -143.05 125.78 8.93 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.949 0.404 . . . . 0.0 110.532 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -47.85 116.77 2.06 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.777 2.318 . . . . 0.0 112.243 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 368' ' ' THR . . . . . 0.432 ' H ' ' HB2' ' B' ' 177' ' ' ALA . 43.2 m -128.94 141.1 51.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -136.45 139.88 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.537 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.577 ' SD ' ' CB ' ' B' ' 176' ' ' ALA . 0.0 OUTLIER -126.49 156.48 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 108.81 -10.11 34.7 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' B' ' 349' ' ' ARG . . . -55.17 108.46 0.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.81 0.338 . . . . 0.0 110.489 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 30.47 4.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 8.6 tp -105.83 133.01 51.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.651 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 23.0 mp0 -64.15 130.62 94.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.593 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.57 -21.71 21.92 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.882 2.388 . . . . 0.0 112.205 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 40.0 t -56.95 -31.67 65.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.586 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . 0.694 ' O ' ' ND1' ' B' ' 380' ' ' HIS . 10.4 m -85.1 -28.63 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.848 ' O ' ' N ' ' B' ' 381' ' ' ARG . 1.4 mp -72.39 -22.36 61.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.983 ' CD2' ' H ' ' B' ' 381' ' ' ARG . 42.6 p-80 24.75 -76.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.983 ' H ' ' CD2' ' B' ' 380' ' ' HIS . 0.2 OUTLIER -149.7 28.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' B' ' 184' ' ' GLU . 0.0 OUTLIER -70.77 169.1 15.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.558 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 91.8 m -78.29 132.07 37.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 11.3 tp -136.47 115.62 12.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 1.7 mp -99.61 109.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.612 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . 0.415 ' O ' HG23 ' B' ' 180' ' ' VAL . 31.4 m -96.5 147.59 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.662 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.3 t0 -137.51 81.22 1.85 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -46.96 -47.18 19.86 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -46.48 53.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.533 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -9.56 30.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 55.42 49.84 62.67 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . 0.479 ' HG2' ' N ' ' B' ' 393' ' ' LEU . 85.5 tt0 -132.16 158.41 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 110.639 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . 0.578 ' O ' ' CD1' ' B' ' 393' ' ' LEU . 3.9 pp -136.14 121.87 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.525 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.638 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 3.3 mm? -95.78 154.58 17.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.629 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.806 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 14.6 p -120.66 105.63 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.599 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.61 ' OD1' ' O ' ' B' ' 395' ' ' VAL . 44.1 p-10 21.22 50.81 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.806 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.4 Cg_endo . . . . . 0 C--N 1.304 -1.8 0 C-N-CA 122.791 2.328 . . . . 0.0 112.092 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -83.01 159.33 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.64 ' O ' HD13 ' A' ' 76' ' ' LEU . 97.4 t -133.39 117.73 28.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.405 ' HB2' ' OE1' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -124.81 172.51 9.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.604 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -161.72 132.7 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.548 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.5 t -78.43 129.31 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.473 HG21 ' CZ ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -130.5 123.36 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.595 ' O ' ' CD ' ' A' ' 8' ' ' GLU . 3.2 pp20? -80.26 127.28 32.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.49 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mm -90.23 105.67 16.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.573 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.1 OUTLIER -83.6 58.94 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.0 m120 61.28 23.89 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -164.79 101.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.556 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.589 HD11 ' HG2' ' A' ' 19' ' ' PRO . 1.9 pp -64.11 -7.87 10.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.76 -87.45 0.11 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -117.06 -50.24 2.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.734 0.302 . . . . 0.0 110.532 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.411 ' ND1' ' CZ ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER 174.68 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.844 ' CB ' HH11 ' A' ' 18' ' ' ARG . . . -169.51 -13.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.567 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.844 HH11 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -57.12 -54.19 57.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.635 ' O ' HD12 ' A' ' 23' ' ' LEU . 51.0 Cg_exo -48.1 -51.5 9.9 Favored 'Trans proline' 0 C--N 1.303 -1.822 0 C-N-CA 122.733 2.288 . . . . 0.0 112.174 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.4 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -62.62 -44.09 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.576 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -40.44 80.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.458 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' O ' HD12 ' A' ' 26' ' ' LEU . 45.1 mttp -63.73 -37.32 86.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 19' ' ' PRO . 4.9 mp -50.31 -43.91 53.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -38.67 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.38 -34.65 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.852 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 5.3 mp -68.23 -40.24 82.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.805 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 66.2 ttp -58.8 -28.86 66.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -86.6 -27.67 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.19 -24.5 36.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.852 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.5 p90 -119.66 138.25 53.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.752 0.311 . . . . 0.0 110.635 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.559 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 66.6 t0 -80.33 109.15 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.625 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.845 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.99 148.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -98.21 128.32 44.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -106.21 133.06 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 mp -134.2 139.15 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' ' OE2' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -109.19 150.24 28.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.41 136.45 23.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.625 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.664 ' ND2' ' SD ' ' A' ' 54' ' ' MET . 20.2 m-80 -93.78 153.56 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.57 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 45.8 p-10 -50.65 -27.97 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 93.8 mt-10 -68.06 -11.72 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.625 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.3 11.06 58.87 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.9 p -84.12 117.44 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.658 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 3.0 tm-20 -78.18 103.39 8.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.32 65.66 7.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.626 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 2.8 mt-10 -41.18 120.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.9 -9.22 8.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -100.4 27.72 5.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.85 122.88 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.594 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.46 ' O ' HD13 ' A' ' 53' ' ' LEU . 6.6 p -62.86 -35.41 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 51' ' ' ALA . 20.6 pt -61.47 -37.83 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.621 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' N ' HG13 ' A' ' 50' ' ' ILE . . . -64.8 -42.37 95.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.4 HD12 ' HB1' ' A' ' 20' ' ' ALA . 51.5 tp -58.13 -39.05 77.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.596 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 49' ' ' VAL . 1.1 mp -65.03 -36.63 85.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.586 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.664 ' SD ' ' ND2' ' A' ' 38' ' ' ASN . 4.9 tmm? -68.29 -36.12 78.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.41 -35.83 81.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD2' ' CG ' ' B' ' 291' ' ' LEU . 85.6 m-20 -53.15 -34.79 58.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -76.36 -6.37 51.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.46 29.28 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.582 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -69.4 97.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.57 5.25 39.61 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -105.95 165.15 11.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.316 . . . . 0.0 110.652 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.4 143.43 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.499 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.1 pt -130.92 161.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.631 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' OE1' ' HB2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -123.69 100.85 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 20.4 t -80.92 128.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -120.54 139.06 53.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.9 130.82 30.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.664 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 t -124.02 129.08 50.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.633 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 142.42 161.38 8.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -46.9 -45.39 20.83 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.908 2.405 . . . . 0.0 112.071 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 74' ' ' GLU . 50.5 mt-30 -93.97 6.95 46.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.465 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 14.5 pt-20 -37.87 -37.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -49.15 73.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.512 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 71' ' ' GLN . 15.8 tm-20 -56.94 -51.9 67.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.641 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.41 -49.27 72.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -64.79 -43.91 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.618 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.15 99.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.558 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.28 99.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.577 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -67.02 -41.87 87.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.5 mm -65.17 -41.09 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.608 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.67 81.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.4 mt -73.58 -38.97 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.733 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.13 -22.92 61.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -90.51 -3.77 57.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.087 -0.958 . . . . 0.0 110.65 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . 0.464 ' H ' ' HA ' ' B' ' 394' ' ' LEU . 9.7 mtp180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 16.6 mm -102.04 131.6 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.73 109.45 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.505 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' B' ' 391' ' ' GLY . . . -109.45 160.68 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' B' ' 370' ' ' MET . 11.8 mt -79.2 115.59 53.95 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.25 110.51 2.97 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.817 2.345 . . . . 0.0 112.158 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -91.91 -25.57 18.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.29 103.21 3.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.52 155.12 1.44 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.779 2.319 . . . . 0.0 112.202 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 125.82 164.08 11.72 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 32.7 m -106.68 156.3 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -150.04 122.13 8.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.471 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 5.1 pt -122.14 117.49 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -179.41 179.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . 0.596 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 7.8 mp0 -85.91 169.11 13.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.59 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.589 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -94.43 144.93 17.44 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . 0.515 ' CH2' ' NH1' ' B' ' 381' ' ' ARG . 37.9 t-105 -134.96 118.25 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . 0.475 ' O ' ' NE2' ' B' ' 187' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.321 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.856 ' CD1' ' N ' ' B' ' 203' ' ' LEU . 0.0 OUTLIER -91.62 147.3 23.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.748 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -158.16 93.42 2.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -70.5 -12.06 30.88 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.782 2.321 . . . . 0.0 112.13 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -98.41 -43.42 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.533 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' B' ' 211' ' ' ARG . 2.9 tp -85.9 -31.9 21.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.463 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.748 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 81.9 mm-40 -73.07 -59.06 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 30.1 mtp-105 -53.38 -47.91 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.448 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -65.28 -40.56 94.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' B' ' 207' ' ' LEU . 8.9 mtp-105 -55.65 -41.24 73.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.471 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . 0.565 ' C ' ' CD1' ' B' ' 212' ' ' LEU . 3.3 tm? -67.4 -52.62 37.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 96.0 m -52.42 -48.26 65.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.59 -36.44 85.38 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -70.21 -43.8 69.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.698 0.285 . . . . 0.0 110.54 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' B' ' 217' ' ' GLU . 0.0 OUTLIER -57.92 -46.25 85.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.524 ' N ' ' CD2' ' B' ' 216' ' ' LEU . 13.8 tm-20 -61.26 -29.22 69.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.44 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -84.74 -28.2 26.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -90.4 -49.21 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.9 -47.25 80.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.678 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.502 ' ND2' ' HG2' ' B' ' 217' ' ' GLU . 88.8 m-20 -68.56 -30.15 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.689 ' O ' ' CD1' ' B' ' 226' ' ' TYR . 3.7 tm-20 -74.86 -35.64 62.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.497 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -81.55 -47.07 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . 0.405 HH21 ' HD2' ' B' ' 224' ' ' ARG . 30.7 ttm105 -59.99 -48.63 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -68.16 -38.84 82.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.689 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 2.7 m-85 -58.31 -54.08 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.488 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 227' ' ' SER . . . . . 0.477 ' CB ' ' CB ' ' B' ' 242' ' ' PHE . 45.5 m -56.52 -54.73 42.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.479 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -43.84 6.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -47.04 88.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . 0.683 ' O ' ' N ' ' B' ' 234' ' ' ALA . 25.6 m-85 -60.4 -42.36 95.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -49.48 -38.32 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.78 -23.04 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.561 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -115.33 -58.25 0.35 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.683 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -66.17 -147.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.597 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.577 HE21 ' CD ' ' B' ' 237' ' ' GLU . 1.1 pm0 -125.16 -165.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.513 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . 0.608 ' HZ1' ' CB ' ' B' ' 236' ' ' LYS . 0.5 OUTLIER -59.55 -33.58 71.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.581 ' CG ' ' N ' ' B' ' 238' ' ' THR . 8.4 pt-20 -41.04 -46.77 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.663 ' O ' ' CG1' ' B' ' 241' ' ' ILE . 12.9 p -70.23 -48.64 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -65.04 -27.85 69.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 236' ' ' LYS . . . -67.68 -48.21 67.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.541 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . 0.911 ' O ' ' HG ' ' B' ' 244' ' ' LEU . 6.5 pt -59.97 -60.29 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.748 ' H ' HG13 ' B' ' 241' ' ' ILE . 0.0 OUTLIER -46.17 -58.43 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.587 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.619 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 64.9 t0 -33.01 -55.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . 0.911 ' HG ' ' O ' ' B' ' 241' ' ' ILE . 4.2 pp -79.34 -46.77 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.674 ' N ' ' CD1' ' B' ' 244' ' ' LEU . 0.1 OUTLIER -45.92 -56.78 5.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 2.0 p -55.6 -49.56 72.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.49 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.52 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 17.1 m-70 -67.84 -23.77 65.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.742 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 0.4 OUTLIER -71.46 -50.49 31.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.534 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . 0.577 ' C ' ' CD1' ' B' ' 249' ' ' LEU . 3.2 tm? -80.62 -40.81 25.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 250' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' B' ' 247' ' ' HIS . 60.7 p -63.53 -23.27 67.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.941 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 12.6 p30 -49.49 131.42 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 71.4 p -68.82 3.17 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.42 ' H ' ' C ' ' B' ' 251' ' ' ASP . 54.9 ttp85 -75.37 -44.2 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . 0.408 ' HB3' HH11 ' B' ' 255' ' ' ARG . 1.0 OUTLIER -73.05 -50.58 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.551 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.881 ' HE ' ' N ' ' B' ' 255' ' ' ARG . 0.5 OUTLIER -48.05 -53.06 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -60.33 -44.03 95.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.674 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -54.1 -50.82 65.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.4 -59.25 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' B' ' 259' ' ' PHE . 2.0 m-85 -52.43 -33.88 46.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.68 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.43 86.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.66 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.11 -41.59 85.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 87.2 t -67.18 -33.28 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.519 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.65 -20.62 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.521 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -94.71 -18.96 20.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 123.76 19.51 2.75 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 75.1 m -90.94 155.57 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.478 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.422 HG12 ' H ' ' B' ' 269' ' ' GLU . 57.8 t -97.86 146.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.624 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . 0.489 ' CB ' ' OE1' ' B' ' 208' ' ' GLU . . . -50.98 -46.27 61.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.428 ' CD ' HH12 ' B' ' 211' ' ' ARG . 1.4 mp0 -43.6 -58.74 2.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -40.59 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.492 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . . . . . . . . . . . -54.94 -44.35 74.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.487 ' O ' HG12 ' B' ' 276' ' ' ILE . 94.3 t -64.03 -35.1 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -80.7 -38.47 28.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 69.0 m -68.8 -53.45 21.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.656 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.705 HG13 ' H ' ' B' ' 276' ' ' ILE . 11.5 p -48.93 -56.99 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.705 ' H ' HG13 ' B' ' 275' ' ' VAL . 28.3 pt -57.49 -39.8 71.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.505 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 55.1 mm-40 -68.22 -36.32 79.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -70.13 -35.27 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . 0.843 ' O ' ' CD2' ' B' ' 283' ' ' PHE . 14.6 m-85 -83.37 -23.44 32.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . 0.82 ' O ' ' CB ' ' B' ' 284' ' ' ALA . . . -62.3 -47.35 84.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 14.9 mp0 -83.94 -21.5 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . 0.542 ' OE1' ' CD2' ' B' ' 279' ' ' PHE . 51.6 tt0 -58.04 -60.83 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.843 ' CD2' ' O ' ' B' ' 279' ' ' PHE . 30.0 p90 -86.15 -32.45 21.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . 0.82 ' CB ' ' O ' ' B' ' 280' ' ' ALA . . . -57.38 -14.8 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.74 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.12 177.6 8.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 83.8 p -102.58 -20.14 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.785 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 44.7 p-10 -52.15 96.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.514 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.89 -46.8 61.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.572 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . 0.411 ' CZ ' ' ND1' ' A' ' 16' ' ' HIS . 30.6 t80 -54.03 -21.99 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.554 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 294' ' ' ARG . 0.3 OUTLIER -118.22 -48.02 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.785 ' CB ' ' O ' ' B' ' 288' ' ' ASP . 39.5 tttt -40.14 -39.89 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.463 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' B' ' 295' ' ' ALA . 8.6 mt-10 -53.25 -20.88 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' B' ' 291' ' ' LEU . 34.4 ttm-85 -38.67 -30.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -39.39 -53.81 1.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.443 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -50.74 -44.29 48.01 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . 0.5 ' O ' ' OH ' ' B' ' 245' ' ' TYR . 3.2 m-20 -71.36 -44.89 64.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.48 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -54.93 40.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.331 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . 0.402 HH21 ' HD3' ' B' ' 299' ' ' ARG . 25.9 ttp-105 -53.74 -40.7 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.401 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -61.58 -37.96 85.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . 0.618 ' HG ' ' N ' ' B' ' 302' ' ' GLY . 0.1 OUTLIER -56.27 -41.7 76.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.407 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . 0.618 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -59.89 -42.67 98.29 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . 0.401 HE21 ' N ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -59.43 -39.72 84.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.377 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.588 ' NH2' ' OE1' ' B' ' 337' ' ' GLU . 0.0 OUTLIER -66.04 -41.7 90.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.375 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.17 -39.95 78.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.366 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . 0.582 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.1 OUTLIER -65.52 -40.69 93.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -69.48 -40.18 77.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.454 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 74.7 m-70 -73.51 -22.05 60.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 3.9 mt -75.28 -13.5 60.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . 0.582 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 5.1 m-20 -123.02 108.35 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.812 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 7.4 ptm180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.724 0.297 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.812 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 83.6 m-85 -163.57 167.33 21.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . 0.466 HG13 ' HA2' ' B' ' 185' ' ' GLY . 1.6 pp -102.07 156.97 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.475 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 4.6 tp -91.39 123.09 34.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.621 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.78 90.92 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -122.2 155.24 36.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 41.8 p30 -73.2 -17.45 61.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.441 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 19.1 tp10 -149.98 133.05 16.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.533 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 4.4 mt -86.7 118.8 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 331' ' ' SER . . . . . 0.619 ' OG ' ' OG1' ' B' ' 334' ' ' THR . 32.6 p -116.43 131.0 57.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.523 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.04 -38.79 62.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.558 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 90.9 m -58.2 -43.34 87.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 334' ' ' THR . . . . . 0.619 ' OG1' ' OG ' ' B' ' 331' ' ' SER . 91.1 m -59.0 -52.43 65.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.537 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.449 ' CD2' ' C ' ' B' ' 335' ' ' LEU . 9.0 tt -49.65 -46.8 50.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -74.11 6.79 3.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.588 ' OE1' ' NH2' ' B' ' 304' ' ' ARG . 1.2 tt0 -104.17 -40.16 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.59 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 1.8 tp -106.0 118.42 55.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.69 136.42 21.55 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.851 2.367 . . . . 0.0 112.004 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.86 -31.85 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.635 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -46.47 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.427 ' N ' ' HD3' ' B' ' 342' ' ' ARG . 18.8 mmt180 -75.73 -18.17 59.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' B' ' 345' ' ' GLY . 50.5 tp -90.87 106.04 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.475 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 11.3 m -109.46 14.68 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.633 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' B' ' 343' ' ' LEU . . . 176.98 155.48 13.68 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 1.3 t -143.65 137.39 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.583 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.56 126.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 9.8 p -125.88 149.5 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . 0.474 HH11 ' C ' ' B' ' 373' ' ' ASP . 57.1 mtp180 -88.18 -39.63 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.488 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.43 80.8 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.587 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -123.96 130.87 7.78 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -95.63 140.67 30.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.75 -27.5 65.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.555 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.63 -3.3 49.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 58.9 m -73.55 143.33 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -60.35 -39.35 86.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.475 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.12 90.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.48 94.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.661 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.403 HD13 HG23 ' B' ' 359' ' ' ILE . 68.6 mt -65.13 -38.84 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.625 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 55.5 mtt -64.22 -48.55 75.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.59 -43.86 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 12.7 ttp-105 -62.59 -46.18 89.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.63 -30.62 71.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.56 -32.38 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.22 32.62 9.47 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . 0.478 HD13 HG22 ' B' ' 366' ' ' ILE . 4.6 mm -104.96 121.27 47.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.657 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.31 120.9 4.77 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.845 2.364 . . . . 0.0 112.147 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 84.9 m -149.42 148.53 29.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.6 151.34 26.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.561 ' O ' ' N ' ' B' ' 174' ' ' LEU . 0.6 OUTLIER -124.8 160.32 28.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.62 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.71 -0.74 58.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -54.42 110.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . 0.474 ' C ' HH11 ' B' ' 349' ' ' ARG . 60.2 m-20 -99.95 56.61 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . 0.524 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 0.1 OUTLIER -133.49 155.61 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -95.26 105.29 18.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . 0.524 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 51.8 Cg_exo -47.99 -28.09 9.84 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.822 2.348 . . . . 0.0 112.173 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 47.7 t -55.45 -49.09 73.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.624 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.7 -35.08 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.553 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.63 ' O ' ' N ' ' B' ' 381' ' ' ARG . 16.1 mt -83.8 -46.8 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.589 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.2 OUTLIER 52.18 -78.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.63 ' N ' ' O ' ' B' ' 379' ' ' LEU . 1.4 mpt_? -132.51 25.03 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -71.69 175.7 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.621 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 37.9 m -83.74 129.76 34.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 3.3 mp -122.26 145.71 47.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.632 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 82.9 mt -130.69 100.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.556 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 49.2 t -93.46 147.95 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.8 t0 -140.36 82.81 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.59 -45.88 30.1 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -47.67 -43.23 26.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.615 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' B' ' 391' ' ' GLY . 11.5 mmp_? -108.9 6.65 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.638 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 35.93 61.31 0.78 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . 0.509 ' HG2' ' N ' ' B' ' 393' ' ' LEU . 34.3 tt0 -135.01 160.77 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.53 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . 0.509 ' N ' ' HG2' ' B' ' 392' ' ' GLU . 3.8 tt -127.74 109.64 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.464 ' HA ' ' H ' ' B' ' 170' ' ' ARG . 18.4 mt -95.49 161.18 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.784 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 94.0 t -126.86 102.05 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.511 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.624 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.4 OUTLIER 18.84 52.4 0.1 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.594 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.784 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 40.6 Cg_endo . . . . . 0 C--N 1.306 -1.684 0 C-N-CA 122.817 2.345 . . . . 0.0 112.109 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.411 ' HG1' ' N ' ' A' ' 3' ' ' VAL . 5.0 t -84.15 158.87 21.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.492 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.411 ' N ' ' HG1' ' A' ' 2' ' ' THR . 1.0 OUTLIER -132.63 119.6 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.497 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -126.28 172.79 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.658 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -162.47 133.73 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 p -80.17 129.06 34.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.48 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 m -129.85 123.6 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 58.1 mp0 -79.62 127.01 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.635 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.431 HG22 ' HG ' ' A' ' 13' ' ' LEU . 19.2 mm -89.95 104.83 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.741 ' O ' HG22 ' A' ' 10' ' ' THR . 61.0 m -81.31 55.52 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.507 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.2 t30 61.99 25.82 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.504 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' A' ' 14' ' ' GLY . 12.8 tptt -164.4 94.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.582 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' HG ' HG22 ' A' ' 9' ' ' ILE . 15.9 mt -59.84 -0.08 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.432 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 1.045 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 73.77 27.49 66.93 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 1.36 ' HA ' ' CD ' ' A' ' 19' ' ' PRO . 1.7 ptp -133.35 -86.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.699 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.737 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 2.8 t60 67.92 5.25 4.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.475 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.737 ' CB ' ' O ' ' A' ' 16' ' ' HIS . . . 140.84 39.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.523 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.767 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 3.6 mtp180 -160.01 -68.74 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.679 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 1.36 ' CD ' ' HA ' ' A' ' 15' ' ' MET . 50.2 Cg_exo -48.88 -62.32 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.945 2.43 . . . . 0.0 112.182 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.847 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -53.17 -44.69 68.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.7 tpt -69.03 -42.27 76.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 12.4 tptt -60.65 -39.24 87.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.599 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tt -48.33 -46.66 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -55.79 -40.92 73.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.5 -36.12 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.708 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.88 -42.18 85.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 49.4 ttm -55.73 -31.45 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -82.55 -34.2 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.68 -32.26 42.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -104.52 155.09 19.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 0.0 110.581 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.828 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -99.13 93.61 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.686 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.586 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 168.51 156.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.21 129.58 46.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.1 t -107.22 133.6 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 72.5 mt -135.34 138.17 43.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.581 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mp -108.47 150.66 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -146.73 135.48 22.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.622 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -92.48 154.1 18.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -51.66 -26.55 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.63 -10.0 56.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.69 12.01 59.9 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.1 m -85.33 116.77 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.489 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 2.2 pm0 -77.98 103.49 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.6 65.41 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.546 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -40.55 121.14 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.563 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.69 -10.51 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.616 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.8 28.76 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.539 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -146.51 122.88 10.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 m -62.93 -36.59 76.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.467 ' HB ' ' CZ ' ' B' ' 283' ' ' PHE . 3.5 tt -61.23 -36.45 72.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.86 -42.96 89.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.847 HD22 ' HB1' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -58.51 -38.1 76.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.589 ' O ' ' CD2' ' B' ' 291' ' ' LEU . 7.3 mp -64.84 -36.64 84.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.658 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 46.3 mtt -67.62 -38.75 84.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.46 -35.47 77.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 5.4 m-20 -52.64 -34.35 50.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.56 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.0 p -77.85 -6.25 53.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.02 28.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.54 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HG3' ' HZ2' ' A' ' 59' ' ' LYS . 4.5 mmtp -68.96 97.35 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.48 5.36 39.74 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.26 164.64 11.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.607 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -97.56 144.21 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.643 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.534 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -131.89 161.11 41.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.538 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.534 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.9 mt-10 -123.12 102.11 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 4.2 t -82.02 127.5 39.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -119.65 141.06 49.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.52 129.52 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.677 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 9.9 t -120.31 141.47 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.577 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.586 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 133.04 -177.37 18.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.828 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 49.0 Cg_endo -72.4 -36.93 4.76 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.807 2.338 . . . . 0.0 112.155 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.492 ' NE2' ' HG3' ' A' ' 74' ' ' GLU . 23.5 mm100 -97.85 3.01 49.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.58 ' CD ' ' N ' ' A' ' 73' ' ' GLU . 1.5 pp20? -35.34 -42.72 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.599 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.58 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 16.1 tm-20 -58.45 -49.98 75.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.492 ' HG3' ' NE2' ' A' ' 71' ' ' GLN . 69.9 mm-40 -58.14 -50.93 71.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.532 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.79 -49.29 75.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.7 -44.07 91.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.44 99.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.98 98.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.32 -42.72 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.4 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 65.4 mt -64.59 -41.4 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.437 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.21 83.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.477 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 82' ' ' LEU . 5.4 mp -73.11 -37.51 66.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.65 -33.06 72.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.46 ' N ' HD21 ' A' ' 84' ' ' ASN . 1.4 m-80 -81.47 -5.21 57.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.65 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 18.4 ttp85 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 49.2 mt -114.36 134.75 56.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.15 109.6 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . 0.641 ' CB ' ' O ' ' B' ' 370' ' ' MET . . . -114.08 153.47 29.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.584 ' N ' ' O ' ' B' ' 370' ' ' MET . 80.1 mt -66.37 112.63 9.75 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -72.76 110.74 3.08 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.9 2.4 . . . . 0.0 112.16 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . 0.526 ' O ' ' HD3' ' B' ' 362' ' ' ARG . . . -83.24 -38.48 22.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . 0.411 ' O ' ' HA3' ' B' ' 388' ' ' GLY . . . -133.45 131.83 21.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.14 144.4 42.03 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.779 2.32 . . . . 0.0 112.167 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 135.93 164.55 10.33 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.9 p -126.09 145.92 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 110.477 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -152.32 150.74 30.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 2.1 pt -130.04 134.85 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 178.67 177.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' B' ' 381' ' ' ARG . 65.5 mm-40 -78.8 158.69 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -95.01 144.28 17.1 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -146.47 108.83 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.542 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.759 0.314 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' B' ' 203' ' ' LEU . 0.5 OUTLIER -80.12 126.91 31.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.587 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -148.96 78.45 8.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.015 0.436 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -46.93 -17.55 0.42 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.917 2.411 . . . . 0.0 112.076 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -82.9 -55.63 4.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 4.9 mt -76.66 -38.66 54.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -63.66 -56.97 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' B' ' 212' ' ' LEU . 46.8 ttp180 -55.63 -41.75 73.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.482 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -72.4 -36.92 68.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.401 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.498 HH12 ' CD ' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -52.4 -53.73 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.363 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . 0.693 ' HG ' ' H ' ' B' ' 213' ' ' THR . 2.3 pp -66.18 -45.65 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.383 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 213' ' ' THR . . . . . 0.693 ' H ' ' HG ' ' B' ' 212' ' ' LEU . 57.1 m -58.93 -52.06 67.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.19 -35.52 88.1 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.28 -41.28 66.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.403 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.667 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.4 tp -56.4 -52.07 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.448 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.536 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 2.6 mm-40 -50.48 -34.05 23.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.362 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -81.58 -36.33 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.358 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -83.49 -50.7 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.76 -46.59 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 94.4 m-20 -62.79 -31.64 72.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.355 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 3.6 tt0 -66.26 -42.04 89.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.444 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -66.19 -44.2 84.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -62.97 -42.58 99.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . 0.417 ' C ' ' NH2' ' B' ' 229' ' ' ARG . 73.4 mtm-85 -70.25 -33.49 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -59.49 -59.2 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.73 -45.2 39.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.513 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -62.51 -38.94 91.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.432 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . 0.417 ' NH2' ' C ' ' B' ' 225' ' ' ARG . 0.0 OUTLIER -73.1 -42.65 62.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . 0.614 ' O ' ' CB ' ' B' ' 234' ' ' ALA . 6.1 m-85 -66.94 -45.09 78.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.47 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.36 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.04 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -169.49 51.32 0.21 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' B' ' 230' ' ' PHE . . . -144.54 174.41 10.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 0.0 110.575 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.405 ' HB3' ' HG1' ' B' ' 238' ' ' THR . 61.3 tt0 -63.18 151.53 40.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -67.27 -41.77 84.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.509 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.59 -50.57 59.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.471 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -54.27 -52.7 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -52.91 -42.89 65.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -67.25 -27.06 66.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . 0.471 ' HB ' ' O ' ' B' ' 238' ' ' THR . 0.9 OUTLIER -65.4 -53.14 43.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.429 ' N ' HG23 ' B' ' 241' ' ' ILE . 56.0 m-85 -61.59 -57.63 11.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -44.56 -48.12 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.469 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . 0.415 ' CD2' HH11 ' B' ' 294' ' ' ARG . 17.3 tp -65.98 -37.78 86.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -71.0 -40.62 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.608 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 3.7 p -44.34 -45.84 9.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.545 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.527 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 7.4 t-80 -73.61 -27.44 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.559 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 8.9 tt -67.45 -48.23 67.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.616 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -41.9 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.635 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 55.6 p -76.53 -12.72 60.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.613 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.871 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 19.9 p-10 -52.67 123.51 11.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 69.4 p -56.7 -1.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.564 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.675 ' HE ' ' N ' ' B' ' 254' ' ' LEU . 0.5 OUTLIER -80.64 -55.8 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.525 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . 0.675 ' N ' ' HE ' ' B' ' 253' ' ' ARG . 3.7 tt -65.42 -41.84 93.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.409 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 76.7 mtp180 -60.68 -44.91 95.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.62 -39.69 84.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.591 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.26 -54.35 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.603 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . 0.656 ' HG ' ' N ' ' B' ' 259' ' ' PHE . 0.6 OUTLIER -64.64 -42.05 95.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.606 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . 0.656 ' N ' ' HG ' ' B' ' 258' ' ' LEU . 39.4 t80 -62.94 -37.42 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.96 89.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . 0.441 ' C ' ' OG ' ' B' ' 266' ' ' SER . 1.6 mp0 -64.01 -39.51 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.0 -40.68 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.638 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -11.6 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -94.33 -19.5 20.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 126.09 11.3 3.92 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 266' ' ' SER . . . . . 0.441 ' OG ' ' C ' ' B' ' 261' ' ' GLU . 51.8 p -93.01 162.91 13.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.362 . . . . 0.0 110.617 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' B' ' 271' ' ' ALA . 3.5 t -98.44 149.64 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -56.71 -40.93 76.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.498 ' CD ' HH12 ' B' ' 211' ' ' ARG . 0.4 OUTLIER -49.25 -57.67 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -76.42 -44.39 36.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.464 ' O ' ' CG2' ' B' ' 275' ' ' VAL . . . -53.1 -44.41 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.7 ' O ' ' CG2' ' B' ' 276' ' ' ILE . 70.4 t -68.52 -27.45 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.84 -29.98 24.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 85.4 m -77.39 -48.41 17.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.644 HG22 ' H ' ' B' ' 276' ' ' ILE . 31.4 m -65.11 -48.74 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.7 ' CG2' ' O ' ' B' ' 272' ' ' VAL . 2.3 pp -63.83 -21.77 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.565 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.53 -34.27 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.622 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' B' ' 282' ' ' GLN . 0.3 OUTLIER -72.65 -46.7 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' B' ' 280' ' ' ALA . 0.1 OUTLIER -74.73 -19.3 60.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . 0.619 ' N ' ' CD2' ' B' ' 279' ' ' PHE . . . -72.46 -38.09 68.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -87.07 -28.62 22.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.654 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' B' ' 278' ' ' LYS . 1.3 mm100 -58.29 -48.07 81.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.539 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.64 ' N ' ' CD1' ' B' ' 283' ' ' PHE . 2.5 m-30 -66.74 -34.25 77.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -60.61 -37.1 80.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -39.32 -24.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.615 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' B' ' 284' ' ' ALA . 4.1 mm? -60.78 163.8 5.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 287' ' ' SER . . . . . 0.451 ' O ' ' C ' ' B' ' 288' ' ' ASP . 15.4 m -100.33 -44.58 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' B' ' 287' ' ' SER . 0.7 OUTLIER -35.69 134.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.676 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.26 -45.61 93.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.527 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . 0.681 ' HH ' ' NH1' ' B' ' 294' ' ' ARG . 61.2 t80 -56.95 -27.67 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.589 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 2.3 mp -81.31 -63.35 1.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.492 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -42.28 -42.3 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.466 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' B' ' 290' ' ' TYR . 20.6 pt-20 -70.46 -36.0 73.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.681 ' NH1' ' HH ' ' B' ' 290' ' ' TYR . 1.9 tpt180 -57.65 -37.34 73.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.09 63.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.348 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -51.64 -44.94 54.66 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.92 -39.44 94.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.387 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.37 -47.95 83.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.338 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -50.64 -42.61 56.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.314 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . 0.677 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -65.05 -36.01 82.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.294 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 9.8 tt -53.15 -44.87 68.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.429 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.17 -38.53 96.66 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -44.27 90.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.346 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 12.0 mtp85 -65.63 -39.16 91.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.383 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 13.5 tp -68.13 -40.16 82.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.409 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.72 -38.49 91.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.43 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -44.38 93.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.405 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -69.69 -23.8 63.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.88 -14.17 20.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.455 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.26 117.41 26.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.644 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.741 0.305 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 3.6 m-85 -159.32 162.68 36.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . 0.452 HD12 HG23 ' B' ' 324' ' ' ILE . 87.1 mt -116.54 145.48 22.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 3.2 tp -91.97 130.15 37.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 39.9 t -133.62 94.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -130.77 152.11 50.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -63.84 -31.58 72.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.523 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -139.24 115.44 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.455 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.501 HD22 ' H ' ' B' ' 330' ' ' LEU . 1.4 pt? -82.85 142.2 31.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.479 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 331' ' ' SER . . . . . 0.406 ' HG ' ' H ' ' B' ' 333' ' ' THR . 29.3 t -145.67 142.2 28.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -52.58 -35.81 54.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 333' ' ' THR . . . . . 0.677 ' OG1' ' CB ' ' B' ' 300' ' ' ALA . 2.0 t -54.14 -40.24 67.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 334' ' ' THR . . . . . 0.484 ' N ' ' CG2' ' B' ' 333' ' ' THR . 62.7 m -66.56 -52.13 48.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' B' ' 337' ' ' GLU . 65.0 tp -61.53 -43.04 99.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.12 2.16 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' B' ' 335' ' ' LEU . 32.0 tt0 -108.68 -32.72 7.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.548 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.51 126.13 30.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.613 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.73 141.73 15.39 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.755 2.303 . . . . 0.0 112.161 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . 0.509 ' H ' ' CD ' ' B' ' 340' ' ' GLN . 21.9 mp0 -73.33 -12.58 60.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -41.61 80.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.29 -24.17 26.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.466 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 6.7 tt -90.94 103.08 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.507 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 7.3 t -123.12 27.06 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.669 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -178.43 145.27 6.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 58.8 t -141.89 143.07 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.592 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 1.9 p -152.61 115.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.682 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.423 HG22 ' H ' ' B' ' 349' ' ' ARG . 8.6 p -110.94 157.57 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.528 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . 0.552 ' NH2' ' O ' ' B' ' 374' ' ' ILE . 70.1 mtp85 -74.56 -38.18 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.584 ' O ' ' C ' ' B' ' 351' ' ' GLY . 0.1 OUTLIER 174.3 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 23.58 -102.97 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -118.25 130.2 55.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.529 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.38 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -132.48 96.01 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.9 158.78 22.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -53.69 -41.6 67.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.631 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.74 95.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . 0.482 ' CB ' HH11 ' B' ' 362' ' ' ARG . . . -55.72 -48.44 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.21 -34.8 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 2.7 mtm -67.32 -44.36 79.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.61 -44.45 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' B' ' 176' ' ' ALA . 2.2 mtm180 -60.14 -44.2 95.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.92 -28.0 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.55 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 14.9 mt -68.49 -27.51 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.57 39.36 5.94 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 67.8 mt -121.75 122.13 27.94 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.895 0.379 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.68 134.84 22.09 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.836 2.357 . . . . 0.0 112.019 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 99.4 m -148.38 147.85 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.55 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.65 155.02 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.641 ' O ' ' CB ' ' B' ' 173' ' ' ALA . 2.0 mtt -136.7 162.59 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.41 62.12 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -63.18 113.73 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -104.42 45.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . 0.652 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 8.4 tp -115.32 142.17 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.666 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -75.06 107.43 3.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . 0.652 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 50.9 Cg_exo -48.51 -33.32 23.09 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.954 2.436 . . . . 0.0 112.086 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 88.4 p -47.48 -44.64 25.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 85.5 t -69.89 -32.38 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.506 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.603 ' O ' ' N ' ' B' ' 381' ' ' ARG . 7.6 mp -65.81 -33.08 75.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.4 OUTLIER 27.88 -89.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.603 ' N ' ' O ' ' B' ' 379' ' ' LEU . 96.9 mtt-85 -135.72 20.73 3.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.43 170.58 10.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 383' ' ' THR . . . . . 0.577 ' OG1' ' HB3' ' B' ' 396' ' ' ASP . 0.0 OUTLIER -79.63 128.32 33.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . 0.61 HD12 ' O ' ' B' ' 394' ' ' LEU . 23.9 tp -133.09 114.81 14.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 13.0 tt -107.12 120.75 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 22.4 m -108.31 150.06 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 391' ' ' GLY . 52.7 t0 -133.39 88.02 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -50.26 -44.39 43.77 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -39.38 -51.33 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 110.562 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . 0.407 HH21 ' CG ' ' B' ' 390' ' ' ARG . 0.0 OUTLIER -117.33 17.16 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.488 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 38.57 62.0 1.2 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -116.01 142.49 46.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.634 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 34.3 tp -120.87 124.58 45.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.506 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.61 ' O ' HD12 ' B' ' 384' ' ' LEU . 0.5 OUTLIER -121.25 150.43 41.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.729 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 1.14 ' O ' ' HD3' ' B' ' 397' ' ' PRO . 21.1 m -119.37 118.8 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.61 ' C ' ' O ' ' B' ' 395' ' ' VAL . 8.6 p-10 -21.58 68.73 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.579 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 1.14 ' HD3' ' O ' ' B' ' 395' ' ' VAL . 40.5 Cg_endo . . . . . 0 C--N 1.305 -1.744 0 C-N-CA 122.863 2.375 . . . . 0.0 112.084 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.4 p -83.31 158.2 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.3 t -132.14 117.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 2.7 pttt -124.56 172.72 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -162.39 132.74 4.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.45 129.92 35.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.714 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.63 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 27.9 m -130.87 123.8 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -80.64 126.45 31.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.8 mm -89.12 104.87 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.472 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.688 ' O ' HG22 ' A' ' 10' ' ' THR . 20.8 m -82.62 57.13 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 10' ' ' THR . 80.4 m-20 62.63 23.87 14.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -164.79 99.57 0.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -5.12 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.51 ' O ' ' HG2' ' A' ' 19' ' ' PRO . . . 120.28 138.03 5.53 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.596 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 4.2 tpp 41.46 -142.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' C ' ' H ' ' A' ' 18' ' ' ARG . 7.9 t-160 -128.26 76.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 73.28 -20.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.53 ' H ' ' C ' ' A' ' 16' ' ' HIS . 3.7 mpt_? -47.92 -50.67 52.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.594 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.596 ' HD3' ' HB3' ' A' ' 15' ' ' MET . 50.1 Cg_exo -48.56 -51.56 10.07 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.832 2.355 . . . . 0.0 112.102 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.13 91.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 21' ' ' MET . 1.8 tmt? -66.06 -41.49 90.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.403 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -63.26 -37.56 87.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.549 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 tp -49.37 -45.88 46.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.593 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CD1' ' CE1' ' B' ' 247' ' ' HIS . 0.3 OUTLIER -57.43 -39.06 75.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.622 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -74.36 -33.98 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.374 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 22' ' ' LYS . 3.4 mm? -68.08 -42.53 80.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.594 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.6 mtp -56.04 -34.03 65.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -79.16 -33.35 44.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.587 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.87 -30.16 39.87 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . 18.3 m-30 -107.82 151.26 25.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.471 ' H ' ' CD ' ' A' ' 71' ' ' GLN . 65.8 t0 -95.06 96.71 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.788 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 165.34 154.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.529 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -99.57 129.55 45.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.656 ' O ' HD12 ' A' ' 35' ' ' LEU . 35.5 m -106.99 132.21 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.496 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.712 ' N ' HD21 ' A' ' 35' ' ' LEU . 1.7 mm? -133.42 138.59 46.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.18 150.87 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.833 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.39 134.12 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.41 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 14.8 t-20 -90.4 156.94 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.461 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -53.4 -28.06 27.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -67.36 -11.17 57.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.67 11.5 59.17 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.9 p -84.34 117.21 23.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -78.13 102.97 7.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.558 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.07 65.54 7.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -40.91 121.17 1.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.624 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.42 -10.79 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -99.8 29.8 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.44 122.49 10.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.58 -36.01 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.674 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 51' ' ' ALA . 30.1 pt -61.15 -38.19 79.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.626 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 50' ' ' ILE . . . -64.81 -42.57 94.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.625 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -58.35 -37.91 76.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.565 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.66 -36.76 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.58 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.8 mtp -67.44 -37.55 83.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.622 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.96 -36.42 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.25 -34.94 48.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.678 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.5 m -76.86 -6.06 50.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.696 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.63 29.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' H ' ' HG2' ' A' ' 59' ' ' LYS . 1.8 ptmt -69.16 97.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.638 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.78 5.37 38.86 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.14 164.46 11.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -97.37 144.07 27.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.833 HG23 ' O ' ' A' ' 37' ' ' ARG . 3.0 mt -131.16 161.73 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.573 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 33.9 tp10 -124.25 100.18 6.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 24.0 m -80.33 128.44 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.601 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -120.82 138.35 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.622 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.16 130.7 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.639 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.7 t -123.72 128.78 50.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.467 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.788 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 142.63 161.26 8.71 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.429 ' O ' ' OE2' ' A' ' 73' ' ' GLU . 53.8 Cg_exo -46.99 -44.67 22.54 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.83 2.353 . . . . 0.0 112.094 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.471 ' CD ' ' H ' ' A' ' 31' ' ' ASP . 29.3 mt-30 -94.53 7.27 46.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.569 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 19.7 pt-20 -38.31 -38.17 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.613 ' HG2' ' H ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -63.68 -48.96 75.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.564 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.613 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 19.8 mt-10 -57.63 -50.63 72.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.51 77.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.1 -44.15 89.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.613 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.43 99.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.483 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.68 98.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.81 -42.07 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.497 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.7 -41.43 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.22 -35.69 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 82' ' ' LEU . 5.4 mp -73.53 -38.64 65.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.412 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.691 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.59 -23.44 60.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.57 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -90.77 -1.47 57.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.571 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' B' ' 393' ' ' LEU . 7.4 ptm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 36.6 mm -98.48 124.71 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -81.21 109.49 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.464 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -112.19 157.04 21.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.559 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.86 118.89 65.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -72.73 111.0 3.14 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.826 2.35 . . . . 0.0 112.147 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -95.82 -53.03 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -120.65 108.94 36.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.5 166.06 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.774 2.316 . . . . 0.0 112.161 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 106.37 176.9 23.4 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 2.9 p -134.18 153.62 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.575 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -149.76 147.27 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 6.4 mt -129.94 124.09 57.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 178.16 176.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . 0.528 ' HB2' ' CE2' ' B' ' 323' ' ' PHE . 98.9 mt-10 -79.07 168.18 20.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.451 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -99.93 116.01 5.46 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . 0.447 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 4.6 t-105 -103.98 140.78 37.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.716 0.293 . . . . 0.0 110.535 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . 0.436 ' H ' ' CD ' ' B' ' 187' ' ' GLN . 2.9 pm0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.808 0.337 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.71 128.62 24.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.591 ' OD1' ' OE2' ' B' ' 208' ' ' GLU . 23.6 p-10 -156.63 55.11 0.98 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.624 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' B' ' 209' ' ' ARG . 53.9 Cg_exo -47.23 -64.82 0.21 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.871 2.381 . . . . 0.0 112.068 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -40.47 -47.73 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.54 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . 0.717 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 3.2 tp -76.33 -39.7 53.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.489 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.591 ' OE2' ' OD1' ' B' ' 204' ' ' ASP . 1.4 tp10 -69.35 -63.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.487 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' B' ' 205' ' ' PRO . 0.1 OUTLIER -44.12 -52.07 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.93 -37.69 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.427 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.717 ' HB2' ' O ' ' B' ' 207' ' ' LEU . 1.9 ttt-85 -57.53 -48.37 79.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.488 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 71.4 mt -62.61 -52.95 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.466 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 40.5 p -54.74 -47.96 73.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.385 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.97 95.53 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . 0.55 ' CB ' HD21 ' B' ' 309' ' ' LEU . . . -70.86 -43.36 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.415 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' B' ' 220' ' ' ALA . 31.0 mt -59.66 -49.1 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.417 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.544 ' HG2' ' ND2' ' B' ' 221' ' ' ASN . 0.2 OUTLIER -49.42 -34.04 15.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.418 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -78.34 -33.98 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.366 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -87.5 -49.48 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.371 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.621 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.58 -51.99 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.486 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.544 ' ND2' ' HG2' ' B' ' 217' ' ' GLU . 96.6 m-20 -62.91 -34.16 76.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.4 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . 0.476 ' OE1' ' NH1' ' B' ' 304' ' ' ARG . 25.6 tt0 -68.54 -34.25 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.483 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.38 -45.22 88.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.411 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.92 -38.56 91.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 15.4 ttm105 -67.12 -31.05 71.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.509 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . 0.779 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 2.5 m-85 -64.68 -60.86 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.79 -47.53 30.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.526 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -58.08 -37.49 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.519 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . 0.458 HH12 ' HA ' ' B' ' 339' ' ' PRO . 3.1 mtp180 -68.09 -42.4 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.521 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -67.62 -45.33 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -54.73 -26.77 36.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.53 -22.38 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . 0.602 ' O ' ' C ' ' B' ' 234' ' ' ALA . . . -164.06 -113.93 0.3 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.602 ' C ' ' O ' ' B' ' 233' ' ' GLY . . . 21.63 -139.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.482 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.421 ' HG3' ' HG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -111.62 154.79 24.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . 0.514 ' HZ1' HH11 ' A' ' 18' ' ' ARG . 57.0 tttm -71.15 -19.83 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.502 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.05 -44.86 95.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.634 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.421 ' HG1' ' HG3' ' B' ' 235' ' ' GLN . 4.1 m -58.42 -53.81 54.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.505 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -51.3 -44.28 61.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . 0.411 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . . . -62.34 -30.49 71.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.598 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' B' ' 238' ' ' THR . 9.9 mm -70.99 -65.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.501 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.72 -58.21 8.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -45.45 -39.5 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . 0.81 HD21 ' O ' ' B' ' 244' ' ' LEU . 0.4 OUTLIER -71.83 -37.24 70.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.518 ' N ' HD11 ' B' ' 244' ' ' LEU . 0.3 OUTLIER -72.72 -34.52 67.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 52.8 p -48.36 -53.63 16.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.68 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.532 ' C ' ' ND1' ' B' ' 247' ' ' HIS . 0.1 OUTLIER -75.39 -34.47 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.52 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 0.5 OUTLIER -63.29 -43.2 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . 0.501 HD21 ' N ' ' B' ' 250' ' ' SER . 0.3 OUTLIER -72.35 -43.19 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 250' ' ' SER . . . . . 0.501 ' N ' HD21 ' B' ' 249' ' ' LEU . 87.9 p -68.79 -11.6 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.827 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 49.4 p30 -45.86 127.35 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 252' ' ' THR . . . . . 0.477 ' O ' ' CG ' ' B' ' 256' ' ' ARG . 4.3 t -58.62 1.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.662 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.572 ' H ' ' C ' ' B' ' 251' ' ' ASP . 30.6 ttp-105 -85.21 -49.15 8.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 6.4 tp -71.79 -46.48 58.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.424 HH21 ' HD3' ' B' ' 255' ' ' ARG . 30.8 ttp-105 -59.27 -55.51 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' B' ' 252' ' ' THR . 22.4 mmt85 -56.52 -40.79 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -54.5 -46.0 73.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.594 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 7.2 mp -57.75 -58.65 7.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.654 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' B' ' 259' ' ' PHE . 0.0 OUTLIER -55.94 -30.96 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.695 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.42 91.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.73 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' B' ' 264' ' ' LYS . 4.6 tp10 -64.46 -38.13 89.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.613 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.73 -37.14 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.598 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -13.77 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' B' ' 261' ' ' GLU . 0.0 OUTLIER -92.31 -18.03 23.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.623 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . 0.479 ' N ' ' HG3' ' B' ' 264' ' ' LYS . . . 121.6 18.51 3.64 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 54.0 m -102.73 166.49 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 110.485 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.436 ' O ' ' HB1' ' B' ' 271' ' ' ALA . 31.7 m -104.38 154.96 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -57.04 -45.87 82.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.56 -64.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . 0.436 ' CD2' ' OG1' ' B' ' 274' ' ' THR . 5.7 t90 -68.14 -44.11 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' B' ' 267' ' ' VAL . . . -50.77 -47.94 59.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.732 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.26 -41.76 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . 0.405 ' O ' ' OE1' ' B' ' 277' ' ' GLU . 6.1 tttt -77.07 -46.08 24.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.69 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 274' ' ' THR . . . . . 0.453 ' O ' ' N ' ' B' ' 278' ' ' LYS . 93.0 m -58.2 -56.21 24.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.681 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . . . . . . . . . 85.5 t -50.75 -55.82 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.411 ' N ' HD12 ' B' ' 276' ' ' ILE . 1.2 mp -55.26 -38.7 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.656 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' B' ' 281' ' ' GLU . 1.0 OUTLIER -75.99 -33.91 59.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.574 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' B' ' 274' ' ' THR . 12.5 ttpt -72.86 -32.17 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.625 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . 0.525 ' O ' ' HD2' ' B' ' 283' ' ' PHE . 0.5 OUTLIER -87.2 -15.82 37.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . 0.709 ' O ' ' HB1' ' B' ' 284' ' ' ALA . . . -76.37 -39.12 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.508 ' HA ' ' HB3' ' B' ' 284' ' ' ALA . 3.5 mm-40 -85.46 -30.11 23.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -59.7 -49.81 76.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.56 ' C ' ' CD1' ' B' ' 283' ' ' PHE . 0.3 OUTLIER -87.28 -28.65 22.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . 0.709 ' HB1' ' O ' ' B' ' 280' ' ' ALA . . . -61.79 -14.53 33.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -72.16 -11.32 60.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.491 ' C ' HD21 ' B' ' 291' ' ' LEU . 3.6 mm? -73.68 173.94 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 61.0 m -112.68 -26.5 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.569 ' O ' ' CD2' ' B' ' 291' ' ' LEU . 0.1 OUTLIER -42.18 128.67 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.594 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' B' ' 290' ' ' TYR . 17.3 p-10 -57.61 -49.79 75.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.516 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . 0.634 ' O ' ' HG3' ' B' ' 293' ' ' GLU . 43.5 t80 -47.48 -25.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.824 ' HG ' ' N ' ' B' ' 292' ' ' LYS . 0.5 OUTLIER -75.68 -45.46 36.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.824 ' N ' ' HG ' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -49.82 -45.69 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.533 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . 0.634 ' HG3' ' O ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -72.22 -27.96 62.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.391 179.81 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.597 ' NH1' ' OH ' ' B' ' 290' ' ' TYR . 8.7 tpp180 -61.72 -42.61 99.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.484 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -52.78 -49.4 65.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.454 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -50.77 -44.39 48.46 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' B' ' 245' ' ' TYR . 7.8 m-20 -67.26 -42.59 83.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.33 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -51.25 70.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.298 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -53.5 -43.65 68.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.332 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . 0.499 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -64.04 -39.7 94.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.255 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 5.3 tt -58.71 -42.83 89.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.374 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -64.37 -42.65 97.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -58.79 -40.67 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.311 . . . . 0.0 110.296 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.523 HH12 ' HH ' ' B' ' 226' ' ' TYR . 10.5 mtp180 -75.27 -40.67 58.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.408 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.54 -41.71 98.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.415 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . 0.402 ' O ' HD21 ' B' ' 306' ' ' LEU . 6.9 tt -69.71 -34.77 74.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.322 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -66.98 -40.49 87.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.466 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -72.58 -24.51 61.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . 0.55 HD21 ' CB ' ' B' ' 215' ' ' ALA . 0.5 OUTLIER -69.76 -7.85 43.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -139.4 73.64 1.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.825 0.345 . . . . 0.0 110.582 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 0.2 OUTLIER 172.52 166.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.559 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . 0.436 HD11 HG22 ' B' ' 324' ' ' ILE . 70.3 mt -116.18 137.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 56.0 tp -78.71 121.26 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.6 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.41 113.67 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.616 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -151.17 156.94 41.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -68.42 -21.77 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -155.4 157.8 37.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.53 127.33 39.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 331' ' ' SER . . . . . 0.568 ' OG ' ' OG1' ' B' ' 334' ' ' THR . 0.3 OUTLIER -126.8 131.25 51.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.55 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.62 82.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 333' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' B' ' 300' ' ' ALA . 14.2 p -64.95 -36.04 83.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 334' ' ' THR . . . . . 0.568 ' OG1' ' OG ' ' B' ' 331' ' ' SER . 98.2 m -67.25 -53.67 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.447 ' C ' ' H ' ' B' ' 337' ' ' GLU . 2.6 tt -55.45 -29.26 58.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . 0.779 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -75.06 12.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' B' ' 335' ' ' LEU . 94.6 mt-10 -100.72 -31.14 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.61 145.88 34.78 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . 0.458 ' HA ' HH12 ' B' ' 229' ' ' ARG . 50.7 Cg_endo -72.73 157.1 52.58 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.748 2.299 . . . . 0.0 112.196 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -71.97 -20.64 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.71 -45.93 91.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -82.59 -23.5 34.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.613 HD23 ' H ' ' B' ' 345' ' ' GLY . 2.1 tt -75.32 103.01 5.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 1.4 t -121.61 20.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . 0.613 ' H ' HD23 ' B' ' 343' ' ' LEU . . . 162.48 161.59 12.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.418 HG23 ' O ' ' B' ' 345' ' ' GLY . 25.4 t -145.55 150.77 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.576 0.227 . . . . 0.0 110.642 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 92.4 t -144.13 118.17 3.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.533 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 0.2 OUTLIER -117.48 151.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.605 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . 0.426 ' N ' HG21 ' B' ' 348' ' ' VAL . 35.5 ttm180 -80.5 -39.12 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' B' ' 351' ' ' GLY . 16.6 t70 -147.9 -91.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . 0.503 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 54.3 154.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -77.35 132.8 38.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.62 -13.58 59.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -98.95 3.83 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 79.3 p -70.35 155.11 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 18.9 pt20 -56.83 -42.21 79.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.489 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' B' ' 356' ' ' GLN . . . -62.08 -45.3 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.448 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.2 93.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.617 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . 0.471 HG23 HD13 ' B' ' 359' ' ' ILE . 47.6 mm -74.17 -30.59 27.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 39.2 ttm -60.94 -48.25 82.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.495 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.36 -47.62 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -58.14 -46.32 85.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.24 -22.92 64.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 20.9 tp -75.24 -30.53 60.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.46 38.69 6.17 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . 0.443 HD11 HG22 ' B' ' 366' ' ' ILE . 42.2 mm -116.72 124.35 29.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.389 . . . . 0.0 110.521 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.44 132.96 20.28 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.902 2.402 . . . . 0.0 112.055 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 58.7 m -157.68 142.57 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.2 150.63 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 370' ' ' MET . . . . . . . . . . . . . 1.6 mtt -126.89 165.4 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.531 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.46 -6.79 61.32 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -55.5 111.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -93.75 35.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . 0.434 HD13 HG21 ' B' ' 374' ' ' ILE . 38.0 mm -113.74 128.12 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.538 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 9.4 pm0 -66.33 150.84 96.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.68 -20.0 23.58 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.773 2.315 . . . . 0.0 112.064 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 78.0 p -62.07 -41.29 98.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 74.7 t -74.54 -34.68 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.533 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.733 ' O ' ' N ' ' B' ' 381' ' ' ARG . 66.6 mt -68.16 -31.65 71.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.592 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER 23.45 -81.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.733 ' N ' ' O ' ' B' ' 379' ' ' LEU . 17.2 ptp180 -147.03 22.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . 0.479 ' NH2' ' OD2' ' B' ' 396' ' ' ASP . 1.7 ttt180 -68.32 174.5 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 88.2 m -79.36 123.48 27.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.92 115.61 24.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 80.1 mt -107.3 100.54 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.656 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.8 145.19 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.441 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.725 ' O ' ' N ' ' B' ' 391' ' ' GLY . 54.5 t0 -129.74 83.94 2.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.618 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -45.23 -45.27 10.43 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -54.5 42.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -90.57 -1.53 57.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.725 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 43.78 55.31 5.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -129.49 157.21 42.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.515 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' B' ' 170' ' ' ARG . 2.4 mt -127.48 128.77 46.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.458 ' CD2' ' H ' ' B' ' 170' ' ' ARG . 10.2 mt -123.88 144.75 49.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.56 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.628 ' O ' ' C ' ' B' ' 396' ' ' ASP . 7.0 p -116.32 124.02 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.628 ' C ' ' O ' ' B' ' 395' ' ' VAL . 12.6 p30 15.93 62.4 0.16 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.534 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' B' ' 395' ' ' VAL . 50.6 Cg_endo . . . . . 0 C--N 1.305 -1.752 0 C-N-CA 122.948 2.432 . . . . 0.0 112.102 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ptp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -82.15 160.3 23.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -134.28 116.63 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.564 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -122.56 172.46 8.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.698 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -161.52 132.8 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.36 128.8 33.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.637 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.5 p -130.13 125.58 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.409 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -81.73 125.57 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.555 HG12 ' CD1' ' A' ' 63' ' ' ILE . 23.3 mm -89.16 104.26 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.2 p -82.3 54.43 2.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.3 OUTLIER 65.35 22.29 12.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' A' ' 14' ' ' GLY . 10.9 tttt -161.27 97.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.462 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -62.14 -2.84 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 179.829 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.708 ' C ' ' SD ' ' A' ' 15' ' ' MET . . . 161.96 -35.98 0.37 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.977 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 173.61 -128.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.789 0.328 . . . . 0.0 110.557 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.697 ' N ' ' HG2' ' A' ' 15' ' ' MET . 83.1 t60 -88.95 -48.33 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 172.58 101.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.536 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 1.016 ' H ' ' HD2' ' A' ' 19' ' ' PRO . 1.2 ttt85 -167.53 -32.29 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 1.016 ' HD2' ' H ' ' A' ' 18' ' ' ARG . 35.1 Cg_endo -67.78 -41.38 8.16 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.789 2.326 . . . . 0.0 112.066 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.85 -39.89 79.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.513 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.2 ttp -72.64 -39.56 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.514 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 13.7 tptt -63.42 -36.96 85.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.559 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -50.13 -44.85 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.654 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -56.95 -38.7 73.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -74.2 -34.11 63.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.526 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.66 -40.91 79.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ttm -56.61 -32.09 64.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.655 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -81.29 -35.31 31.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.19 -30.67 45.27 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.536 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 29.4 m-85 -106.85 149.46 27.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.588 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.758 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 2.0 m-20 -93.82 96.64 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.52 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 165.74 154.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.53 130.15 45.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.8 m -107.57 132.67 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 mp -134.49 137.75 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.4 151.25 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.434 ' O ' HG22 ' A' ' 63' ' ' ILE . 25.3 ttm-85 -148.51 134.01 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.652 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.74 ' HA ' HG21 ' A' ' 63' ' ' ILE . 30.7 m120 -89.86 156.85 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 64.0 t0 -53.46 -27.99 27.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -67.6 -10.37 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.94 11.65 59.98 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.6 m -84.58 116.98 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -77.78 103.5 7.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.78 65.56 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.49 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.549 ' HB3' HD21 ' A' ' 47' ' ' ASN . 89.4 mt-10 -40.85 121.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -9.28 10.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -100.4 27.36 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.532 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.76 122.76 11.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.544 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.37 -36.18 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 pt -60.7 -38.3 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.62 -43.21 94.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.506 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.09 -38.12 75.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 53' ' ' LEU . 11.0 mp -65.14 -36.62 84.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.592 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.5 mtt -67.5 -38.89 85.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.53 -36.12 77.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -52.3 -34.86 48.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.573 ' HB3' ' OD2' ' B' ' 288' ' ' ASP . 0.1 OUTLIER -76.82 -7.03 54.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.73 29.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 15.0 pttt -69.27 96.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.74 5.16 39.21 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.67 ' NH2' ' H ' ' A' ' 62' ' ' GLN . 0.4 OUTLIER -105.66 165.4 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.562 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.67 ' H ' ' NH2' ' A' ' 61' ' ' ARG . 1.7 tm0? -98.2 142.96 29.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.52 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.74 HG21 ' HA ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -129.32 163.06 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.586 ' OE1' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -125.74 99.5 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.513 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.89 129.47 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -122.13 140.39 52.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.48 131.5 27.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 1.7 t -121.91 141.81 50.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.52 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 132.92 -176.42 19.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.758 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -73.58 -36.22 4.03 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.802 2.335 . . . . 0.0 112.147 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.536 ' OE1' ' HA ' ' A' ' 30' ' ' PHE . 91.8 mt-30 -99.29 4.55 46.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.573 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 71' ' ' GLN . 16.9 pt-20 -36.85 -42.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -58.32 -48.91 79.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' GLN . 25.9 mm-40 -59.11 -49.67 76.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.661 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' O ' HG13 ' A' ' 79' ' ' VAL . . . -58.39 -48.4 80.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.974 ' O ' HG23 ' A' ' 79' ' ' VAL . 2.7 tt -65.05 -43.71 91.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.14 99.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.544 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.01 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 76' ' ' LEU . 2.9 m -66.28 -42.09 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.487 ' N ' ' CG2' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -65.36 -40.96 90.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.55 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.36 87.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.431 HD11 ' N ' ' A' ' 82' ' ' LEU . 4.9 mp -71.81 -38.39 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.5 m-85 -69.45 -31.51 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.612 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -83.03 -3.75 57.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 85.6 mt -132.35 139.18 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 172' ' ' ARG . . . . . 0.577 ' HD3' ' H ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -87.72 117.51 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' B' ' 370' ' ' MET . . . -115.19 156.8 24.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 174' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' B' ' 370' ' ' MET . 1.0 OUTLIER -71.91 114.9 32.85 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -72.54 116.06 4.57 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.802 2.335 . . . . 0.0 112.13 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -93.39 -27.69 16.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.484 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -153.08 109.93 2.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.42 152.14 2.6 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.902 2.401 . . . . 0.0 112.124 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 132.28 162.65 10.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.14 149.01 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -151.47 146.65 26.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 5.4 mt -123.63 122.12 64.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 183' ' ' ALA . . . . . 0.65 ' O ' HD12 ' B' ' 384' ' ' LEU . . . -169.3 -171.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.571 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 184' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' B' ' 382' ' ' ARG . 15.5 mt-10 -100.59 159.12 15.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 185' ' ' GLY . . . . . 0.535 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -87.44 126.62 8.08 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -142.58 148.31 37.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 110.557 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.543 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.778 0.323 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 203' ' ' LEU . . . . . 0.423 ' H ' HD21 ' B' ' 203' ' ' LEU . 2.0 pt? -85.06 139.19 31.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.515 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 204' ' ' ASP . . . . . 0.63 ' OD1' ' HG2' ' B' ' 208' ' ' GLU . 0.1 OUTLIER -158.4 84.52 2.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.08 -29.59 12.61 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.838 2.358 . . . . 0.0 112.141 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -70.23 -43.57 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.564 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 207' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 5.3 mt -94.83 -33.12 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.462 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 208' ' ' GLU . . . . . 0.73 ' OE1' ' N ' ' B' ' 268' ' ' ALA . 8.8 mm-40 -65.23 -58.84 4.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.516 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.24 -46.55 79.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -68.6 -38.49 80.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 211' ' ' ARG . . . . . 0.567 ' NH2' ' HB3' ' B' ' 268' ' ' ALA . 0.1 OUTLIER -52.16 -50.18 62.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.73 -51.77 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.56 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 28.6 m -51.57 -54.92 22.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.557 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -57.67 -34.37 70.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 215' ' ' ALA . . . . . 0.435 ' CB ' HD23 ' B' ' 309' ' ' LEU . . . -69.75 -46.16 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.511 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 216' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.3 mp -55.1 -50.25 69.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 217' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 2.7 mm-40 -54.56 -27.96 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.528 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -81.28 -35.52 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -97.09 -52.6 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . 0.692 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -49.42 -52.73 26.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 221' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 97.5 m-20 -65.36 -33.29 75.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -66.61 -40.46 88.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 223' ' ' PHE . . . . . 0.504 ' CZ ' ' NH1' ' B' ' 304' ' ' ARG . 5.0 m-85 -64.89 -45.81 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 3.7 ttm105 -56.27 -55.79 28.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -61.06 -28.55 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -56.13 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.51 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 227' ' ' SER . . . . . 0.45 ' H ' ' HG ' ' B' ' 227' ' ' SER . 0.7 OUTLIER -49.03 -50.04 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 228' ' ' LYS . . . . . 0.531 ' HD2' ' H ' ' B' ' 228' ' ' LYS . 0.2 OUTLIER -51.88 -43.4 63.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.616 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -64.83 -42.95 94.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 230' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' B' ' 234' ' ' ALA . 2.9 m-85 -65.51 -48.23 73.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.516 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -50.19 -35.23 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.578 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.31 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.597 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -123.4 -67.75 0.22 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 234' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -51.32 179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.565 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 235' ' ' GLN . . . . . 0.607 ' HG3' ' HG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -79.73 171.82 14.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 236' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' B' ' 237' ' ' GLU . 64.5 pttt -65.19 -39.75 93.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' B' ' 236' ' ' LYS . 5.6 tt0 -49.52 -49.19 46.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 238' ' ' THR . . . . . 0.607 ' HG1' ' HG3' ' B' ' 235' ' ' GLN . 0.2 OUTLIER -60.09 -58.93 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -55.16 -42.4 73.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.476 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -66.99 -27.35 67.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 241' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' B' ' 238' ' ' THR . 6.9 mt -70.54 -61.12 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.541 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 242' ' ' PHE . . . . . 0.599 ' O ' ' N ' ' B' ' 245' ' ' TYR . 36.7 m-85 -54.71 -56.13 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 243' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' B' ' 242' ' ' PHE . 0.5 OUTLIER -36.65 -41.96 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.491 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 29.6 tp -70.75 -35.29 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 245' ' ' TYR . . . . . 0.599 ' N ' ' O ' ' B' ' 242' ' ' PHE . 9.1 m-30 -70.2 -43.32 70.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 35.2 m -45.36 -43.19 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.639 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 247' ' ' HIS . . . . . 0.58 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 0.7 OUTLIER -74.58 -26.28 59.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 248' ' ' LEU . . . . . 0.711 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 2.5 tt -62.32 -45.01 95.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.41 -42.89 58.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 250' ' ' SER . . . . . 0.473 ' HG ' ' HA ' ' B' ' 247' ' ' HIS . 54.3 p -73.5 -19.01 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.576 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 251' ' ' ASP . . . . . 0.884 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 50.4 p30 -52.12 128.42 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 4.9 t -60.0 -0.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 253' ' ' ARG . . . . . 0.523 ' H ' ' C ' ' B' ' 251' ' ' ASP . 3.8 tmt_? -76.43 -52.99 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 254' ' ' LEU . . . . . 0.443 HD13 HH21 ' B' ' 253' ' ' ARG . 0.0 OUTLIER -74.58 -36.98 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.613 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 255' ' ' ARG . . . . . 0.54 HH11 HH12 ' B' ' 256' ' ' ARG . 10.8 ttp-105 -61.03 -48.13 83.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 256' ' ' ARG . . . . . 0.54 HH12 HH11 ' B' ' 255' ' ' ARG . 9.3 mmp_? -64.06 -42.18 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.791 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.92 -49.82 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.721 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 14.9 mt -57.17 -53.02 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 259' ' ' PHE . . . . . 0.697 ' O ' HG22 ' B' ' 262' ' ' VAL . 6.9 m-30 -57.49 -31.34 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.63 80.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -70.48 -48.43 55.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 262' ' ' VAL . . . . . 0.697 HG22 ' O ' ' B' ' 259' ' ' PHE . 2.4 m -60.5 -39.24 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 263' ' ' ASP . . . . . 0.458 ' N ' ' CG2' ' B' ' 262' ' ' VAL . 93.0 m-20 -64.54 -12.62 46.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -93.59 -19.37 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 122.98 12.58 4.82 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 266' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' B' ' 262' ' ' VAL . 45.9 t -92.76 153.65 18.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.576 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 267' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' B' ' 268' ' ' ALA . 82.6 t -98.6 143.88 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.541 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 268' ' ' ALA . . . . . 0.73 ' N ' ' OE1' ' B' ' 208' ' ' GLU . . . -37.9 -45.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 269' ' ' GLU . . . . . 0.411 ' N ' ' OE1' ' B' ' 269' ' ' GLU . 0.1 OUTLIER -47.66 -60.54 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -73.64 -39.23 64.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 271' ' ' ALA . . . . . 0.443 ' O ' HG21 ' B' ' 275' ' ' VAL . . . -47.22 -56.12 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 272' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' B' ' 276' ' ' ILE . 82.1 t -63.42 -31.94 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 273' ' ' LYS . . . . . 0.663 ' O ' HG13 ' B' ' 276' ' ' ILE . 57.6 tttt -73.29 -40.49 64.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.7 m -66.62 -50.81 61.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 275' ' ' VAL . . . . . 0.443 HG21 ' O ' ' B' ' 271' ' ' ALA . 69.3 t -50.56 -54.51 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 276' ' ' ILE . . . . . 0.663 HG13 ' O ' ' B' ' 273' ' ' LYS . 1.3 pp -57.82 -30.94 39.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 277' ' ' GLU . . . . . 0.578 ' N ' HG13 ' B' ' 276' ' ' ILE . 92.1 mt-10 -76.25 -34.67 59.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.684 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 278' ' ' LYS . . . . . 0.603 ' O ' ' CD ' ' B' ' 281' ' ' GLU . 5.2 mtpm? -64.3 -31.26 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 279' ' ' PHE . . . . . 0.556 ' C ' ' CD1' ' B' ' 279' ' ' PHE . 0.0 OUTLIER -79.06 -32.01 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 280' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' B' ' 284' ' ' ALA . . . -43.12 -48.45 6.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.6 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.603 ' CD ' ' O ' ' B' ' 278' ' ' LYS . 24.4 pm0 -82.65 -24.9 33.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 282' ' ' GLN . . . . . 0.514 ' N ' ' HG2' ' B' ' 281' ' ' GLU . 13.2 tt0 -60.0 -51.04 71.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 283' ' ' PHE . . . . . 0.458 ' N ' ' CD1' ' B' ' 283' ' ' PHE . 8.2 m-30 -78.09 -30.92 49.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.619 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 284' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -54.97 -58.16 8.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 285' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -33.6 -40.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.476 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 286' ' ' LEU . . . . . 0.596 ' CB ' ' CD2' ' B' ' 291' ' ' LEU . 16.6 mt -79.11 151.23 31.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 94.7 p -111.16 -7.14 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 288' ' ' ASP . . . . . 0.697 ' N ' ' OD1' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -50.21 120.51 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 289' ' ' ASN . . . . . 0.808 HD21 ' N ' ' B' ' 290' ' ' TYR . 0.5 OUTLIER -58.62 -51.73 68.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.492 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 290' ' ' TYR . . . . . 0.808 ' N ' HD21 ' B' ' 289' ' ' ASN . 57.6 t80 -48.79 -35.94 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 291' ' ' LEU . . . . . 0.723 ' HG ' ' N ' ' B' ' 292' ' ' LYS . 0.3 OUTLIER -91.1 -41.89 10.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 292' ' ' LYS . . . . . 0.723 ' N ' ' HG ' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -41.46 -53.21 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.456 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . 0.428 ' OE2' ' CD ' ' B' ' 356' ' ' GLN . 0.1 OUTLIER -65.61 -38.08 88.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.397 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 294' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' B' ' 291' ' ' LEU . 12.8 tpp85 -45.12 -40.6 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.373 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -50.36 -47.62 56.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -53.06 -42.38 61.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -40.92 98.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.813 0.34 . . . . 0.0 110.285 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 298' ' ' LEU . . . . . 0.531 ' HB3' ' CE2' ' B' ' 279' ' ' PHE . 1.6 mm? -55.55 -46.3 77.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.295 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -56.61 -41.88 77.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.249 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.18 95.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.263 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 58.1 mt -61.26 -42.42 98.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.326 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.41 -42.56 98.99 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -39.95 86.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.354 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 304' ' ' ARG . . . . . 0.504 ' NH1' ' CZ ' ' B' ' 223' ' ' PHE . 15.3 mmm-85 -65.04 -41.04 95.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.402 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.78 -39.52 89.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . 0.563 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.6 OUTLIER -65.28 -37.37 86.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.293 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.45 -45.09 80.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.351 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -71.04 -23.86 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.44 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 309' ' ' LEU . . . . . 0.435 HD23 ' CB ' ' B' ' 215' ' ' ALA . 0.4 OUTLIER -63.05 -15.49 56.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.504 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 310' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 0.0 OUTLIER -123.89 108.44 12.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.499 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 322' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.853 0.359 . . . . 0.0 110.584 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 323' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' B' ' 322' ' ' ARG . 49.9 p90 178.35 169.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 2.3 pp -107.13 156.47 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 33.2 tp -94.71 114.81 26.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' B' ' 326' ' ' VAL . 7.8 p -114.13 93.92 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.699 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -128.7 163.1 25.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.528 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 328' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 43.2 p-10 -71.83 -27.46 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.542 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 9.7 pt-20 -144.37 135.3 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.28 126.38 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.477 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 331' ' ' SER . . . . . 0.516 ' HG ' ' HG1' ' B' ' 333' ' ' THR . 6.0 t -137.1 130.52 31.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.44 -38.57 63.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 333' ' ' THR . . . . . 0.516 ' HG1' ' HG ' ' B' ' 331' ' ' SER . 11.6 p -53.42 -43.13 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 98.7 m -59.18 -47.32 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.493 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.416 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.8 OUTLIER -58.79 -30.87 67.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -64.37 -3.52 3.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.51 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' B' ' 335' ' ' LEU . 86.6 mt-10 -93.64 -41.48 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.477 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.75 147.66 37.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.7 143.21 37.18 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.815 2.343 . . . . 0.0 112.181 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.29 -20.98 63.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -62.49 -43.21 99.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -76.95 -22.14 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.502 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 15.5 tp -69.6 114.75 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.531 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.95 7.25 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 174.37 164.27 29.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.56 139.66 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.936 0.398 . . . . 0.0 110.649 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.78 127.14 44.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.521 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 348' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 1.4 t -126.97 146.59 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.616 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . 0.42 ' NH1' ' OE1' ' B' ' 375' ' ' GLN . 49.9 mtp180 -90.79 -37.17 13.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.473 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -135.81 -132.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . 71.28 167.25 7.83 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -108.54 145.29 35.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 110.583 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.58 -15.07 63.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -82.32 1.29 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 355' ' ' SER . . . . . 0.437 ' HG ' ' CB ' ' B' ' 358' ' ' ALA . 83.5 p -63.9 153.68 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.588 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . 0.428 ' CD ' ' OE2' ' B' ' 293' ' ' GLU . 15.1 pt20 -63.81 -43.32 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.61 94.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 358' ' ' ALA . . . . . 0.437 ' CB ' ' HG ' ' B' ' 355' ' ' SER . . . -58.56 -41.3 85.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.9 mt -73.32 -28.94 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 360' ' ' MET . . . . . 0.425 ' O ' HD12 ' B' ' 364' ' ' LEU . 15.5 tmm? -66.8 -48.79 67.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.512 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . 0.432 HG21 ' N ' ' B' ' 362' ' ' ARG . 23.7 m -66.7 -45.84 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 362' ' ' ARG . . . . . 0.432 ' N ' HG21 ' B' ' 361' ' ' VAL . 18.0 ttp180 -61.64 -42.77 99.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.27 -24.36 63.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 364' ' ' LEU . . . . . 0.425 HD12 ' O ' ' B' ' 360' ' ' MET . 2.2 mp -73.35 -25.45 60.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 96.18 36.31 5.23 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 366' ' ' ILE . . . . . 0.679 ' CG2' ' HD2' ' B' ' 367' ' ' PRO . 34.7 mm -116.73 142.99 30.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.58 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 367' ' ' PRO . . . . . 0.679 ' HD2' ' CG2' ' B' ' 366' ' ' ILE . 53.3 Cg_endo -73.34 126.99 11.46 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.816 2.344 . . . . 0.0 112.126 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 87.9 m -137.36 145.09 42.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.612 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.14 147.0 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 370' ' ' MET . . . . . 0.49 ' O ' ' CB ' ' B' ' 173' ' ' ALA . 6.0 mtt -126.94 163.32 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.91 -9.63 61.85 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -57.77 119.18 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -108.24 54.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . 0.437 HD13 HG23 ' B' ' 374' ' ' ILE . 29.9 mm -111.86 122.35 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.609 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 375' ' ' GLN . . . . . 0.42 ' OE1' ' NH1' ' B' ' 349' ' ' ARG . 6.7 mm100 -59.41 115.73 13.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.56 -39.29 29.35 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.781 2.321 . . . . 0.0 112.172 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 82.3 p -51.74 -49.33 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.66 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.09 -36.45 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 379' ' ' LEU . . . . . 0.71 ' O ' ' N ' ' B' ' 381' ' ' ARG . 48.6 mt -65.29 -31.49 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 380' ' ' HIS . . . . . 0.54 ' C ' ' O ' ' B' ' 379' ' ' LEU . 18.8 t-160 26.41 -83.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 381' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.0 OUTLIER -146.23 26.09 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 382' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' B' ' 184' ' ' GLU . 6.7 mtt-85 -68.39 178.41 1.98 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 383' ' ' THR . . . . . 0.467 ' O ' ' OD1' ' B' ' 396' ' ' ASP . 92.4 m -97.74 134.44 40.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 384' ' ' LEU . . . . . 0.801 ' CD1' ' N ' ' B' ' 384' ' ' LEU . 0.0 OUTLIER -146.23 127.45 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.534 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 385' ' ' ILE . . . . . 0.421 ' N ' HD12 ' B' ' 385' ' ' ILE . 4.3 mp -103.1 128.46 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.68 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 8.8 m -104.55 146.06 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.471 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 387' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' B' ' 391' ' ' GLY . 67.1 t0 -134.1 83.56 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.514 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -57.37 -38.56 87.41 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.23 -54.2 34.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.593 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 390' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' B' ' 390' ' ' ARG . 0.0 OUTLIER -95.28 -5.97 42.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 391' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 56.13 64.12 4.68 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 392' ' ' GLU . . . . . 0.496 ' HG2' ' H ' ' B' ' 393' ' ' LEU . 0.9 OUTLIER -143.4 157.19 44.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.529 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . 0.496 ' H ' ' HG2' ' B' ' 392' ' ' GLU . 50.3 tp -125.44 126.36 44.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.501 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 394' ' ' LEU . . . . . 0.668 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 15.8 mt -99.67 141.59 32.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 395' ' ' VAL . . . . . 0.768 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 0.0 OUTLIER -117.47 99.07 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.536 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 396' ' ' ASP . . . . . 0.567 ' N ' ' CD ' ' B' ' 397' ' ' PRO . 0.1 OUTLIER 28.04 47.93 0.22 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 397' ' ' PRO . . . . . 0.768 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 39.3 Cg_endo . . . . . 0 C--N 1.304 -1.765 0 C-N-CA 122.885 2.39 . . . . 0.0 112.155 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.1 p -82.91 159.96 22.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 67' ' ' ALA . 16.8 m -134.62 118.29 25.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 17.5 pttp -125.07 174.32 8.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -163.22 131.86 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.434 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 14.8 t -77.98 129.23 35.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.44 123.62 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.46 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.543 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -80.26 126.81 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.559 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.443 HD13 HG22 ' A' ' 9' ' ' ILE . 71.4 mt -90.16 105.84 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.662 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.497 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -82.98 55.13 2.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.51 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 63.81 25.44 14.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.52 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 3.2 ttpt -165.96 97.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.858 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -61.98 -1.56 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.515 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . 147.97 -124.18 1.85 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.32 98.67 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.434 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 54.56 -96.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.479 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.412 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . -144.08 -0.16 1.03 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.551 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.601 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 14.6 mmp_? -52.33 -45.96 94.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.545 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.601 ' HD3' ' HB2' ' A' ' 18' ' ' ARG . 52.3 Cg_exo -47.63 -49.43 13.44 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.853 2.369 . . . . 0.0 112.134 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.0 90.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.647 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -69.43 -43.33 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.18 -37.88 86.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD21 ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -48.65 -43.69 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.525 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.35 -36.27 75.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.675 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -76.27 -34.63 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.896 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 96.6 mt -68.0 -40.96 82.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.817 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 2.8 tpp -58.24 -27.91 64.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.657 ' N ' HE21 ' A' ' 28' ' ' GLN . 0.0 OUTLIER -87.2 -28.71 22.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.599 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.9 -25.04 35.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.896 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 2.0 p90 -119.44 135.7 54.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.574 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 29.9 t0 -77.75 110.82 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.601 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.772 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 155.13 148.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -98.23 129.07 44.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.61 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -106.82 132.47 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 mp -133.54 138.56 46.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.776 ' C ' ' HG2' ' A' ' 37' ' ' ARG . 4.2 mp -108.87 149.42 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.477 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.776 ' HG2' ' C ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -146.15 134.28 21.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.499 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.489 ' ND2' ' SD ' ' A' ' 54' ' ' MET . 67.1 m-80 -90.72 155.36 18.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -52.82 -26.99 16.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 34.5 tt0 -68.82 -9.93 53.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.549 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' OE2' ' A' ' 43' ' ' GLU . . . 91.44 12.14 60.06 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -85.3 116.48 23.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -77.69 103.04 7.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.63 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.27 65.39 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.553 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -40.64 120.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.7 -10.17 11.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -99.7 28.46 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.548 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -146.55 123.8 11.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 50' ' ' ILE . 18.1 m -63.75 -35.61 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.404 ' H ' HG22 ' A' ' 49' ' ' VAL . 60.5 mt -61.47 -37.0 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.507 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.45 91.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.6 tp -58.23 -38.78 77.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 mt -65.18 -36.75 85.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.515 ' CE ' HH12 ' A' ' 61' ' ' ARG . 1.9 tmt? -67.89 -36.79 80.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.69 -36.06 81.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -52.72 -35.19 55.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.9 p -76.19 -6.59 51.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.25 29.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -69.84 97.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.02 4.72 38.67 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.515 HH12 ' CE ' ' A' ' 54' ' ' MET . 24.1 mtm180 -105.47 165.44 11.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.745 0.307 . . . . 0.0 110.546 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.61 143.15 29.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 pt -130.02 163.64 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.589 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -126.09 100.6 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -80.52 129.44 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -121.76 139.47 53.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.533 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.621 ' O ' HG22 ' A' ' 3' ' ' VAL . . . -138.42 131.48 29.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.622 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.1 m -121.91 140.76 52.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.615 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.8 ' O ' ' HG3' ' A' ' 72' ' ' GLU . . . 133.52 -177.11 19.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -72.62 -37.01 4.37 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.839 2.359 . . . . 0.0 112.13 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.1 mt-30 -97.9 3.89 49.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.594 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.855 ' CD ' ' N ' ' A' ' 73' ' ' GLU . 1.2 pp20? -35.86 -42.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.569 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.855 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 4.1 tp10 -57.86 -50.01 74.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.4 tm-20 -57.87 -52.52 65.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.26 -49.82 71.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.574 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.2 tp -64.29 -44.64 91.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.42 99.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.645 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.45 -43.18 91.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -64.22 -41.32 92.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.479 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.22 -37.06 85.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.56 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.21 -37.16 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.72 -32.36 70.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.553 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 85' ' ' SER . 62.3 m-80 -82.41 -5.73 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 3.3 m . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.49 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 27.0 mm -108.86 132.61 56.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -87.63 109.93 20.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' B' ' 391' ' ' GLY . . . -118.74 149.6 41.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' B' ' 174' ' ' LEU . 3.7 mm? -73.05 117.56 61.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . 0.421 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 49.3 Cg_endo -72.75 112.09 3.41 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.789 2.326 . . . . 0.0 112.108 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -90.81 -22.77 20.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -147.64 108.86 3.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.47 161.29 0.29 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.82 2.347 . . . . 0.0 112.128 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . 0.596 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 118.44 159.91 11.33 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.9 p -128.21 144.65 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.499 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -154.41 150.22 27.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.571 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 8.3 tt -126.1 131.43 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -177.55 168.21 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.531 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 184' ' ' GLU . 10.8 pm0 -74.47 162.79 28.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.548 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.659 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.75 122.87 7.7 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -131.81 135.61 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.544 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.16 144.58 27.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' B' ' 190' ' ' THR . 10.6 t0 -66.67 149.19 50.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' B' ' 188' ' ' ASP . . . -69.42 16.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 190' ' ' THR . . . . . 0.578 ' H ' ' C ' ' B' ' 188' ' ' ASP . 49.3 m -81.0 109.5 15.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.438 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.514 ' O ' HD13 ' B' ' 193' ' ' LEU . 1.5 mt -134.61 145.25 54.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.86 128.78 16.69 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.866 2.377 . . . . 0.0 112.053 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . 0.691 ' O ' ' NZ ' ' B' ' 273' ' ' LYS . 2.6 mp -120.61 9.21 10.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 39.9 ttp -72.53 -32.11 65.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.9 -6.63 3.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -93.76 15.93 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . . . . . . . . . 19.4 m -75.91 119.8 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -125.54 158.22 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.507 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -117.66 129.08 55.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -171.88 172.82 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 70.0 m -116.16 130.23 56.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.623 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 27.7 m -131.83 144.16 50.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.575 ' H ' ' CD1' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -98.17 91.26 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.652 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 30.5 p-10 -157.02 46.31 0.25 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . 0.652 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 54.4 Cg_exo -46.81 -54.36 5.02 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.83 2.353 . . . . 0.0 112.117 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -81.89 -49.96 9.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -49.23 -43.49 42.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' B' ' 208' ' ' GLU . 5.4 tp10 -71.64 -50.24 32.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -52.19 -53.45 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.476 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.8 -39.7 92.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.494 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.419 HH12 ' CD ' ' B' ' 269' ' ' GLU . 14.2 ttt-85 -55.64 -39.93 71.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.454 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -50.4 67.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 89.4 m -56.13 -49.49 73.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.46 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.77 -36.0 84.66 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.37 -40.44 77.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.485 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.8 mm? -57.22 -51.01 71.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.37 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 4.0 mm-40 -52.47 -36.07 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.357 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -79.24 -32.04 43.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.402 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.0 -49.34 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.399 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.697 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.44 -49.81 73.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.373 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 98.0 m-20 -64.65 -33.41 75.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.383 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 3.3 tm-20 -70.32 -34.93 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.464 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.66 -43.94 52.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -61.82 -40.63 95.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.397 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -33.69 70.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.735 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.2 OUTLIER -60.46 -57.19 13.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 68.1 p -59.5 -41.54 90.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.531 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -38.37 45.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -69.92 -41.26 74.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.96 -49.23 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.41 65.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.84 -18.16 65.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . 0.904 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -142.42 -91.83 0.17 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.904 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -10.1 -122.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.636 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.71 176.19 8.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -83.71 -27.17 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.647 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.67 -44.08 97.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.589 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 238' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.81 -54.72 30.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' B' ' 243' ' ' ASP . . . -54.52 -43.52 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.14 82.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.39 -62.46 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.531 ' O ' ' N ' ' B' ' 245' ' ' TYR . 33.3 m-85 -57.4 -61.04 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' B' ' 242' ' ' PHE . 66.7 t0 -35.42 -42.67 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.596 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . 0.46 ' O ' ' ND1' ' B' ' 247' ' ' HIS . 22.9 tp -65.74 -43.29 89.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.533 ' O ' ' HB3' ' B' ' 248' ' ' LEU . 0.4 OUTLIER -71.65 -39.08 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.634 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 41.0 t -50.23 -43.82 53.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' B' ' 244' ' ' LEU . 0.0 OUTLIER -70.17 -29.26 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.592 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' B' ' 245' ' ' TYR . 3.9 tp -59.79 -66.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . 0.589 HD12 ' N ' ' B' ' 250' ' ' SER . 3.0 pp -52.9 -38.51 61.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.585 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 250' ' ' SER . . . . . 0.589 ' N ' HD12 ' B' ' 249' ' ' LEU . 51.9 p -75.6 -19.2 59.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.537 ' C ' ' H ' ' B' ' 253' ' ' ARG . 62.2 t0 -57.49 123.03 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.58 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 1.8 t -52.5 -6.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.565 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.854 ' O ' ' HG3' ' B' ' 256' ' ' ARG . 2.5 ttp-105 -75.15 -49.88 18.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.89 -45.25 78.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -58.72 -49.68 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . 0.854 ' HG3' ' O ' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -58.38 -40.22 81.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.556 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' B' ' 256' ' ' ARG . 2.4 mt-10 -59.17 -49.51 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 6.8 mp -59.75 -47.37 85.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -31.3 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.671 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.3 97.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . 0.517 ' HA ' ' HZ2' ' B' ' 264' ' ' LYS . 80.6 mm-40 -63.15 -37.39 87.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 45.1 t -68.09 -33.36 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.92 -19.06 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . 0.517 ' HZ2' ' HA ' ' B' ' 261' ' ' GLU . 15.4 mttp -96.58 -24.55 15.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.558 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.65 21.42 2.19 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 45.9 t -85.69 154.4 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.603 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.639 ' O ' ' HB1' ' B' ' 271' ' ' ALA . 39.9 t -97.48 133.49 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.573 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -46.14 -54.15 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.519 ' N ' ' OE1' ' B' ' 269' ' ' GLU . 2.0 mp0 -39.97 -55.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.454 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . 0.512 ' N ' ' CD1' ' B' ' 270' ' ' TRP . 5.7 m0 -82.33 -41.17 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.509 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' B' ' 267' ' ' VAL . . . -53.52 -51.89 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.513 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.489 HG13 ' H ' ' B' ' 273' ' ' LYS . 7.2 p -57.54 -39.77 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . 0.691 ' NZ ' ' O ' ' B' ' 193' ' ' LEU . 4.8 ttmt -67.75 -42.68 81.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 72.2 p -64.85 -47.96 76.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.515 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.63 -47.84 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.442 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.73 -38.42 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.577 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 80.0 tt0 -65.58 -42.78 91.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.391 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -62.35 -36.59 82.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.396 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . 0.504 ' CE2' ' NH1' ' B' ' 253' ' ' ARG . 1.5 m-85 -71.42 -35.22 70.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.446 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -51.19 -41.8 60.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.456 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.577 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 4.6 mp0 -69.29 -36.98 77.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -66.11 -40.72 90.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.86 -39.2 90.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.54 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -66.83 -44.85 80.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -38.38 -32.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.656 ' O ' ' HD2' ' B' ' 292' ' ' LYS . 39.0 tp -65.2 142.24 58.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.607 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 287' ' ' SER . . . . . 0.462 ' H ' HD11 ' B' ' 286' ' ' LEU . 43.2 t -92.16 -39.0 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.699 ' O ' ' HB3' ' B' ' 292' ' ' LYS . 9.3 t70 -60.26 105.26 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -69.61 -23.2 63.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.95 -22.47 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' B' ' 294' ' ' ARG . 0.1 OUTLIER -138.33 -39.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.55 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.699 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -39.52 -46.44 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.545 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' B' ' 292' ' ' LYS . 8.8 tm-20 -46.72 -24.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.524 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' B' ' 291' ' ' LEU . 68.8 mmt-85 -40.12 -29.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -46.79 -50.23 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.47 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -52.05 -42.35 54.42 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . 0.518 ' OD2' ' NE2' ' B' ' 356' ' ' GLN . 63.0 m-20 -64.0 -40.33 96.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.46 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 12.5 tp -56.43 -50.14 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.398 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -49.96 -43.95 50.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.385 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.15 93.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.435 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 11.5 tp -59.73 -43.69 94.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.312 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.06 99.41 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.3 -40.19 81.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 0.0 110.396 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 5.8 mmm-85 -66.36 -40.24 89.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 36.0 mt -67.69 -36.89 81.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -44.19 91.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.452 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -72.53 -38.53 68.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.5 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 63.6 m-70 -70.54 -24.2 62.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.31 -11.38 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.504 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.546 ' C ' ' H ' ' B' ' 312' ' ' ALA . 2.2 m-20 -134.56 104.16 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.532 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -59.9 0.75 0.13 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.546 ' H ' ' C ' ' B' ' 310' ' ' ASP . . . -91.83 -4.11 55.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -138.35 126.71 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 179.35 -127.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 68.6 158.81 1.46 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' B' ' 317' ' ' ASN . 53.4 Cg_exo -47.37 -17.35 0.55 Allowed 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 122.822 2.348 . . . . 0.0 112.104 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . 0.597 ' O ' ' CB ' ' B' ' 318' ' ' ALA . 0.2 OUTLIER 85.24 -24.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . 0.597 ' CB ' ' O ' ' B' ' 317' ' ' ASN . . . 154.06 101.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.592 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.834 ' HE1' ' HE ' ' B' ' 342' ' ' ARG . 3.0 t90 -107.99 83.62 1.83 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . 0.557 ' HG2' ' CE2' ' B' ' 323' ' ' PHE . 47.4 Cg_endo -72.59 -173.18 1.09 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.747 2.298 . . . . 0.0 112.095 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' B' ' 322' ' ' ARG . 4.3 mp0 -92.1 -43.39 9.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.656 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' B' ' 321' ' ' GLU . 0.1 OUTLIER -161.41 138.16 8.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.557 ' CE2' ' HG2' ' B' ' 320' ' ' PRO . 7.7 p90 177.52 177.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 1.8 pt -124.94 151.49 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.41 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.5 OUTLIER -85.39 135.5 33.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.59 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . 0.537 ' O ' HG12 ' B' ' 326' ' ' VAL . 7.2 p -124.16 97.21 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.594 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.691 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -129.94 152.62 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 42.9 p-10 -60.08 -29.09 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 0.0 OUTLIER -146.02 133.89 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.579 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.47 112.26 3.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' SER . . . . . 0.418 ' OG ' ' OE1' ' B' ' 329' ' ' GLU . 57.9 m -111.23 118.05 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.574 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.68 -42.85 68.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 29.1 p -57.71 -41.32 81.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.629 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 86.7 m -58.99 -50.62 73.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.493 ' C ' ' H ' ' B' ' 337' ' ' GLU . 1.8 tt -61.18 -38.78 87.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . 0.735 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -65.59 2.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.493 ' H ' ' C ' ' B' ' 335' ' ' LEU . 41.5 tt0 -104.57 -33.71 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.473 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 90.6 mt -103.45 150.21 37.8 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . 0.819 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 51.1 Cg_endo -72.81 130.58 15.9 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.813 2.342 . . . . 0.0 112.119 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' B' ' 343' ' ' LEU . 1.4 tm0? -65.59 -35.04 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.819 ' OD1' ' HB2' ' B' ' 339' ' ' PRO . 44.3 p-10 -48.13 -43.15 30.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.834 ' HE ' ' HE1' ' B' ' 319' ' ' TRP . 18.8 mmt180 -91.35 -8.15 48.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.642 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' B' ' 340' ' ' GLN . 1.0 OUTLIER -109.7 120.13 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.797 ' CG1' ' H ' ' B' ' 345' ' ' GLY . 14.9 p -100.67 -66.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . 0.797 ' H ' ' CG1' ' B' ' 344' ' ' VAL . . . -128.72 -175.49 14.08 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.41 HG22 ' O ' ' B' ' 325' ' ' LEU . 0.2 OUTLIER -164.72 141.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.547 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 19.7 t -113.31 124.63 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.691 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 11.2 m -111.01 161.52 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -100.1 1.79 42.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 352' ' ' ALA . 28.3 t0 -154.84 -93.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . 0.633 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 17.58 50.16 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . 0.651 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -89.76 169.2 11.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.631 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' B' ' 352' ' ' ALA . . . 87.34 -154.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -107.73 47.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 69.3 m -54.09 150.15 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.593 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . 0.518 ' NE2' ' OD2' ' B' ' 297' ' ' ASP . 0.0 OUTLIER -48.31 -36.69 14.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.583 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -83.81 -20.97 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.676 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -84.29 -29.9 26.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 16.5 tt -84.25 -31.92 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' MET . . . . . 0.549 ' CG ' ' N ' ' B' ' 361' ' ' VAL . 2.5 ptt? -74.4 -42.85 58.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . 0.549 ' N ' ' CG ' ' B' ' 360' ' ' MET . 8.3 p -66.53 -42.83 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.46 ' N ' ' CG1' ' B' ' 361' ' ' VAL . 12.2 ttm-85 -59.46 -47.88 83.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -66.22 -24.84 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -29.4 66.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.534 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 89.55 28.7 18.56 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 1.2 mp -105.53 126.27 31.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.65 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . 0.439 ' C ' ' HG1' ' B' ' 368' ' ' THR . 53.1 Cg_exo -47.49 131.72 19.38 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.898 2.398 . . . . 0.0 112.11 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 368' ' ' THR . . . . . 0.439 ' HG1' ' C ' ' B' ' 367' ' ' PRO . 5.7 m -149.76 141.14 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.83 151.55 25.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.465 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 370' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -136.55 168.97 18.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.626 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 94.84 -0.27 64.63 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -60.4 114.91 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.83 44.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 9.9 tt -125.69 148.65 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.582 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -88.5 147.67 40.31 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -72.82 -13.0 26.71 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.894 2.396 . . . . 0.0 112.132 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 377' ' ' SER . . . . . 0.5 ' HG ' ' N ' ' B' ' 378' ' ' VAL . 89.5 p -55.44 -44.65 76.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.482 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . 0.5 ' N ' ' HG ' ' B' ' 377' ' ' SER . 33.4 m -90.63 23.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' B' ' 380' ' ' HIS . 13.9 mt -116.45 -31.36 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.659 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER 16.85 -84.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.2 OUTLIER -137.46 21.22 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -62.14 167.97 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.599 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 24.2 m -87.58 128.05 35.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . 0.499 HD12 ' O ' ' B' ' 394' ' ' LEU . 19.5 tp -136.16 118.97 16.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.505 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . 0.598 ' N ' ' CD1' ' B' ' 385' ' ' ILE . 2.7 mp -98.84 113.85 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.623 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 1.3 p -97.75 133.34 40.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.675 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.8 t0 -124.44 87.67 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . 0.596 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -51.65 -44.11 54.02 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -52.54 23.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.333 . . . . 0.0 110.628 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . 0.546 ' NH1' ' OE2' ' B' ' 392' ' ' GLU . 6.9 mmm180 -103.43 7.35 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.468 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 40.39 47.6 3.68 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . 0.546 ' OE2' ' NH1' ' B' ' 390' ' ' ARG . 6.2 mt-10 -114.65 153.45 30.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.593 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.28 109.65 12.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.522 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 22.5 mt -93.33 156.49 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.628 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.599 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 94.3 t -129.74 111.06 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' B' ' 395' ' ' VAL . 23.3 m-20 24.27 54.47 0.28 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.599 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 45.8 Cg_endo -71.87 160.95 46.43 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.78 2.32 . . . . 0.0 112.092 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -44.16 115.34 2.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -46.99 -29.0 7.87 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.769 2.312 . . . . 0.0 112.114 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' B' ' 401' ' ' LEU . 5.6 p -62.92 -48.08 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.603 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . 0.578 ' N ' ' CG1' ' B' ' 400' ' ' VAL . 92.8 mt -57.61 -45.53 85.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.555 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.16 -35.96 76.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -48.89 79.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.548 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -36.45 81.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.631 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -50.97 -49.05 60.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.01 -37.67 77.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.483 ' HA ' ' OG ' ' B' ' 410' ' ' SER . 56.5 ttp180 -76.83 -25.92 53.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.12 -47.74 76.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.614 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' B' ' 414' ' ' GLU . 19.5 pt -69.57 -40.76 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.592 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 410' ' ' SER . . . . . 0.487 ' N ' HG13 ' B' ' 409' ' ' ILE . 59.7 p -63.72 -15.63 58.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.599 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -48.78 -70.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -177.85 -62.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.608 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 0.429 ' C ' ' H ' ' B' ' 415' ' ' LEU . 11.2 mt -76.64 62.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.561 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 0.526 ' HB3' ' O ' ' B' ' 409' ' ' ILE . 11.9 pt-20 -80.1 23.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.607 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . 0.87 ' O ' ' O ' ' B' ' 416' ' ' SER . 79.1 mt -108.21 -93.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 416' ' ' SER . . . . . 0.87 ' O ' ' O ' ' B' ' 415' ' ' LEU . 82.0 p -24.52 -118.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.41 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . 0.545 ' O ' ' O ' ' B' ' 418' ' ' LEU . 0.1 OUTLIER -133.35 11.43 4.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.576 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . 0.545 ' O ' ' O ' ' B' ' 417' ' ' ARG . 23.0 mt 56.02 136.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -55.36 105.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.589 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.86 -174.66 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.56 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' B' ' 422' ' ' ASP . 3.2 t70 -63.71 -139.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.555 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' B' ' 421' ' ' ASP . 0.8 OUTLIER 56.77 122.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.58 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' B' ' 422' ' ' ASP . 18.5 m 32.97 38.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.648 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 422' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.585 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.6 m -83.39 158.13 22.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.453 ' O ' HG11 ' A' ' 3' ' ' VAL . 1.0 OUTLIER -132.56 118.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.648 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -125.61 172.36 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.657 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 6' ' ' THR . 15.4 tm0? -161.21 133.46 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.536 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.586 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 63.6 p -79.68 129.19 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.599 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.15 125.55 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.8 125.56 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.595 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.499 HG22 HD12 ' A' ' 9' ' ' ILE . 52.8 mt -88.64 104.66 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.611 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.25 59.37 4.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.636 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 m120 62.2 21.42 12.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -162.05 103.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 2.5 pp -65.91 -6.84 13.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.625 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.663 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 124.76 45.99 0.25 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' HIS . 6.6 tpt 71.0 70.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.557 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.575 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -39.53 148.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.525 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 16' ' ' HIS . . . 86.3 33.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.763 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -167.75 -69.12 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.55 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.763 ' HD3' ' CB ' ' A' ' 18' ' ' ARG . 50.4 Cg_exo -49.24 -53.85 6.37 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.888 2.392 . . . . 0.0 112.109 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.39 96.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.581 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -67.19 -42.28 84.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -62.05 -36.93 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.66 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 mt -50.32 -44.68 54.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.59 -37.52 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -74.59 -34.46 62.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.694 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.854 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 34.7 mt -68.44 -41.04 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.581 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.841 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 47.9 ttm -57.56 -28.8 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.578 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -86.33 -29.77 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.631 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.52 -24.19 44.01 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.854 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.7 p90 -120.39 136.79 54.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.759 0.314 . . . . 0.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.565 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 91.8 m-20 -78.96 109.96 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.548 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.793 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.8 147.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.75 127.77 43.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 t -106.01 133.37 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.491 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mp -134.41 138.05 44.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.651 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -106.24 151.32 24.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.49 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.532 ' H ' HD13 ' A' ' 63' ' ' ILE . 52.8 mtt180 -148.41 133.35 18.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.407 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 63.0 m-80 -91.75 155.65 18.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.62 -28.99 23.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.586 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.75 -11.92 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.44 11.01 58.76 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 38' ' ' ASN . 44.4 p -83.92 117.49 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.735 0.303 . . . . 0.0 110.546 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -78.24 103.08 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.568 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.435 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.1 65.45 7.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' CD ' HD22 ' A' ' 47' ' ' ASN . 6.8 tt0 -41.12 120.68 1.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.76 -8.77 7.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.432 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.491 HD22 ' CD ' ' A' ' 45' ' ' GLU . 51.7 p30 -100.56 27.03 6.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.531 ' OG ' ' NE ' ' B' ' 253' ' ' ARG . 0.3 OUTLIER -145.72 123.75 12.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.601 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.1 m -63.62 -35.43 72.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.4 tt -61.46 -36.9 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.435 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.96 -42.67 89.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.3 -38.42 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 52.6 mt -65.2 -36.39 84.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 53.0 ttm -68.43 -36.55 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.23 -35.18 79.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -53.08 -34.66 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.6 p -76.79 -6.58 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.89 28.59 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.524 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -68.57 97.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.6 4.93 39.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.2 165.42 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -98.71 142.21 30.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.532 HD13 ' H ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -129.56 162.27 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' N ' HD13 ' A' ' 63' ' ' ILE . 38.4 tt0 -124.9 101.31 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 m -80.83 130.16 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -122.03 140.15 52.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.68 130.7 26.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.647 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -121.39 141.14 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.44 -176.54 19.58 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.406 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 52.2 Cg_endo -73.08 -37.05 3.73 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.788 2.325 . . . . 0.0 112.129 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 74' ' ' GLU . 5.1 mm100 -97.81 3.01 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.42 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 71' ' ' GLN . 18.4 pt-20 -35.46 -42.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.529 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 41.0 tp10 -58.17 -49.48 76.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 71' ' ' GLN . 68.9 mm-40 -58.93 -50.45 74.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.07 77.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -44.21 90.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.38 99.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.51 98.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -66.49 -43.12 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.623 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.531 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -64.05 -41.81 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.68 81.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -73.43 -36.57 65.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.3 m-85 -71.12 -32.31 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 85' ' ' SER . 35.8 m-80 -81.85 -4.62 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.5 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.548 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.75 137.15 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.696 ' HE ' ' N ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -87.34 111.99 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -115.77 157.08 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.61 ' CD2' ' N ' ' B' ' 174' ' ' LEU . 2.6 mm? -77.51 117.4 65.3 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.557 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.27 111.94 3.32 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.906 2.404 . . . . 0.0 112.102 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -88.88 -32.1 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.543 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -143.85 103.78 4.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.662 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.11 139.14 15.7 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.923 2.415 . . . . 0.0 112.14 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 141.49 164.7 10.1 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 98.3 t -110.57 153.38 12.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.349 . . . . 0.0 110.501 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -155.69 129.46 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.604 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 14.1 tt -123.49 121.92 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -174.71 174.21 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.51 150.49 25.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.626 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.536 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -78.37 141.43 24.84 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -144.52 120.36 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' B' ' 189' ' ' ALA . 46.9 tt0 -118.25 142.2 47.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.515 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' B' ' 188' ' ' ASP . 54.2 t0 -62.68 74.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.647 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' B' ' 187' ' ' GLN . . . -107.41 65.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.464 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 75.6 p -91.37 178.17 6.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.66 131.76 94.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.508 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.85 73.0 3.09 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.0 -25.12 57.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 78.3 mtm -65.96 -37.63 86.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.618 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -79.39 -2.74 43.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -102.3 3.02 37.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.526 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' B' ' 198' ' ' TYR . 96.0 t -86.45 158.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.611 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . 0.425 ' N ' ' CG1' ' B' ' 197' ' ' VAL . 46.2 p90 -150.59 167.3 27.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.556 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 9.0 pm0 -95.28 147.59 23.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -156.47 147.85 22.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.562 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 94.8 p -117.83 94.21 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.646 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 87.4 m -151.63 102.96 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.682 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.617 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 7.6 mp -43.46 116.51 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.679 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 83.7 m-20 -151.2 44.39 0.29 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.543 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . 0.679 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 58.5 Cg_exo -46.72 -49.25 12.5 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.736 2.291 . . . . 0.0 112.102 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -52.87 -56.35 16.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -44.37 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -61.46 -54.4 43.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -53.61 -48.28 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.439 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . 0.435 ' HA ' ' OG1' ' B' ' 213' ' ' THR . 4.9 mt-10 -64.66 -35.63 81.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.466 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -54.38 -47.12 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -50.25 49.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' THR . . . . . 0.486 ' HG1' ' N ' ' B' ' 214' ' ' GLY . 68.1 p -56.14 -52.25 65.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.486 ' N ' ' HG1' ' B' ' 213' ' ' THR . . . -62.19 -35.97 92.31 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -74.9 -41.05 60.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' B' ' 220' ' ' ALA . 10.3 tp -58.01 -49.75 75.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.979 ' O ' ' HB3' ' B' ' 221' ' ' ASN . 40.8 mm-40 -55.58 -33.97 64.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . 0.59 ' O ' ' CB ' ' B' ' 222' ' ' GLU . 2.2 mt-10 -83.7 -25.3 30.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.449 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -92.87 -59.33 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.464 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.576 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.72 -50.5 70.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.545 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.979 ' HB3' ' O ' ' B' ' 217' ' ' GLU . 1.3 t30 -66.29 -34.1 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.59 ' CB ' ' O ' ' B' ' 218' ' ' GLU . 3.8 tm-20 -71.62 -35.06 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.474 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -77.45 -41.03 41.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.454 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -62.68 -40.59 97.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -72.6 -33.34 66.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.494 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -51.79 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.616 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 227' ' ' SER . . . . . 0.604 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 64.1 p -64.79 -37.46 87.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.428 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -52.63 -36.7 57.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 33.1 ttp-105 -78.42 -46.07 20.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' B' ' 234' ' ' ALA . 11.8 m-85 -52.17 -49.47 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -45.64 -38.7 6.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -51.85 -20.9 2.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . 0.74 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -143.64 -63.6 0.02 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.74 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -34.31 172.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.521 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.761 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 0.6 OUTLIER -82.88 168.65 16.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . 0.761 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 0.0 OUTLIER -60.02 -27.76 67.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.83 -52.24 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.621 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.494 ' OG1' ' SD ' ' B' ' 360' ' ' MET . 1.2 m -54.63 -57.75 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -51.9 -41.19 61.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.556 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.36 83.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.486 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.11 -50.87 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.618 ' CG ' ' N ' ' B' ' 243' ' ' ASP . 0.0 OUTLIER -52.81 -60.43 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.493 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.618 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 35.3 t0 -41.81 -41.29 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.498 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . 0.418 ' O ' HD11 ' B' ' 244' ' ' LEU . 9.0 tp -80.44 -37.5 31.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.605 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -62.57 -53.2 58.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 15.8 p -53.96 -42.92 69.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.458 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 15.6 t60 -71.59 -28.17 63.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.541 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 8.9 tt -74.01 -43.82 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.591 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.9 -40.21 40.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 77.1 p -70.0 -21.4 63.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.626 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.837 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 38.1 p-10 -51.02 127.65 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.503 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 9.5 t -61.27 4.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.573 ' H ' ' C ' ' B' ' 251' ' ' ASP . 85.9 mtt-85 -80.55 -40.01 26.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.43 -45.85 82.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.639 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -43.4 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -60.61 -42.96 97.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.594 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -62.66 -50.11 72.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.703 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.21 -58.41 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.691 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . 0.764 ' O ' HG23 ' B' ' 262' ' ' VAL . 89.4 t80 -52.17 -35.84 49.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.18 89.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.704 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . 0.407 ' HA ' ' HZ3' ' B' ' 264' ' ' LYS . 20.1 mm-40 -66.59 -45.93 77.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 259' ' ' PHE . 1.3 m -66.02 -31.19 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.545 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -51.99 -19.76 2.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . 0.407 ' HZ3' ' HA ' ' B' ' 261' ' ' GLU . 0.1 OUTLIER -99.55 -17.76 17.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.568 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 122.21 17.77 3.59 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 70.7 m -83.2 153.89 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.487 HG13 ' H ' ' B' ' 270' ' ' TRP . 12.0 p -97.94 147.16 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.532 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -50.28 -46.6 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.74 -54.67 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.486 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . 0.496 ' CE3' ' OG1' ' B' ' 274' ' ' THR . 0.0 OUTLIER -81.23 -36.8 29.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.538 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' B' ' 275' ' ' VAL . . . -52.1 -53.0 47.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' B' ' 276' ' ' ILE . 18.0 m -67.79 -31.9 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -73.65 -50.08 22.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 274' ' ' THR . . . . . 0.496 ' OG1' ' CE3' ' B' ' 270' ' ' TRP . 11.6 m -65.41 -55.84 15.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.544 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' B' ' 271' ' ' ALA . 94.0 t -47.51 -56.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.454 ' N ' HD13 ' B' ' 276' ' ' ILE . 1.5 mp -57.36 -43.38 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -63.09 -39.77 95.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.653 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -36.18 78.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -71.79 -32.71 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -66.77 -35.5 80.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.505 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.489 ' N ' ' OE2' ' B' ' 281' ' ' GLU . 0.1 OUTLIER -72.5 -41.52 65.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.462 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -61.64 -41.95 98.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.519 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.547 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 5.5 m-30 -71.01 -35.72 72.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.93 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.565 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -43.98 -32.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.644 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.615 ' CD1' ' OD1' ' B' ' 288' ' ' ASP . 1.7 mm? -62.48 161.64 11.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.541 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 98.2 p -109.48 -22.41 12.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.748 ' O ' ' HB3' ' B' ' 292' ' ' LYS . 2.2 p-10 -59.01 94.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -65.64 -28.68 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.605 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -58.5 -16.21 14.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.613 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' B' ' 294' ' ' ARG . 4.3 mp -144.45 -52.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.589 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.748 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -31.94 -39.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.425 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . 0.666 ' N ' ' HG3' ' B' ' 292' ' ' LYS . 7.2 tm-20 -55.1 -20.03 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.518 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.757 HH11 ' CG ' ' B' ' 297' ' ' ASP . 3.7 mmp_? -41.57 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.512 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -43.5 -47.24 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.502 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.44 -44.6 28.64 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . 0.757 ' CG ' HH11 ' B' ' 294' ' ' ARG . 1.2 m-20 -63.06 -42.64 99.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . 0.411 HD21 ' N ' ' B' ' 298' ' ' LEU . 3.1 mm? -53.5 -53.84 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -55.22 -39.0 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.423 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . 0.436 ' HB2' ' OG1' ' B' ' 333' ' ' THR . . . -66.37 -40.15 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.374 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . 0.577 ' HG ' ' N ' ' B' ' 302' ' ' GLY . 0.1 OUTLIER -54.39 -42.45 70.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.502 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . 0.577 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -62.87 -43.22 99.25 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.24 -42.44 98.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.386 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.652 ' O ' ' CD2' ' B' ' 308' ' ' HIS . 0.5 OUTLIER -69.26 -40.15 77.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.355 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 1.3 tp -68.52 -39.08 81.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.341 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.54 -43.17 97.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.466 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -64.79 -41.64 95.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.535 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . 0.652 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 83.0 m-70 -73.52 -24.34 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.513 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.05 -21.28 64.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.569 ' C ' ' H ' ' B' ' 312' ' ' ALA . 58.0 m-20 -108.32 118.93 38.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -48.71 -9.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.686 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.582 ' O ' ' C ' ' B' ' 313' ' ' ASN . . . -62.06 -41.88 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.653 ' O ' ' HB3' ' B' ' 314' ' ' GLN . 8.7 m120 22.08 -126.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . 0.653 ' HB3' ' O ' ' B' ' 313' ' ' ASN . 1.6 pt20 157.01 -49.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.528 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . 0.494 ' H ' ' HG2' ' B' ' 314' ' ' GLN . . . 162.98 -167.63 37.44 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.94 7.8 2.29 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.88 2.387 . . . . 0.0 112.032 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 51.85 86.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.586 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -151.68 114.71 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.794 ' CB ' ' CD ' ' B' ' 320' ' ' PRO . 0.1 OUTLIER -92.0 -164.67 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.488 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . 0.794 ' CD ' ' CB ' ' B' ' 319' ' ' TRP . 52.3 Cg_exo -49.97 162.01 0.85 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.72 2.28 . . . . 0.0 112.066 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . 0.569 ' O ' ' OE1' ' B' ' 321' ' ' GLU . 2.6 pp20? -78.73 17.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.482 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.519 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.0 OUTLIER -132.97 103.68 6.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.578 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 5.2 m-85 -173.33 157.05 3.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.49 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . 0.43 HG22 ' N ' ' B' ' 325' ' ' LEU . 4.8 mt -117.37 151.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.43 ' N ' HG22 ' B' ' 324' ' ' ILE . 0.1 OUTLIER -97.64 126.56 43.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.565 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.34 96.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.515 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -130.36 158.06 40.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 17.8 p30 -73.87 -24.7 59.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.49 124.74 12.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 2.3 tp -75.98 122.01 23.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.637 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' SER . . . . . 0.536 ' O ' ' OG1' ' B' ' 334' ' ' THR . 70.2 m -135.9 133.81 38.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.62 -44.17 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.642 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' B' ' 334' ' ' THR . 2.7 t -48.42 -44.11 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' THR . . . . . 0.545 ' N ' ' CG2' ' B' ' 333' ' ' THR . 5.6 p -71.75 -51.27 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.1 OUTLIER -59.18 -34.05 71.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.502 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.26 8.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.566 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.534 ' H ' ' C ' ' B' ' 335' ' ' LEU . 0.7 OUTLIER -106.41 -32.43 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 3.0 mp -113.1 119.05 43.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.65 144.12 11.28 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.858 2.372 . . . . 0.0 112.087 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -60.29 -25.02 65.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -58.95 -45.25 90.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.474 HH11 ' CG ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -77.46 -7.46 56.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.624 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.474 ' CG ' HH11 ' B' ' 342' ' ' ARG . 5.1 tt -100.6 100.43 11.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 28.1 m -110.76 8.39 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.679 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -176.95 151.09 10.79 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.6 142.45 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.27 110.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.595 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 0.2 OUTLIER -110.0 154.46 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.577 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . 0.448 HH21 ' HD3' ' B' ' 349' ' ' ARG . 36.9 mtp-105 -89.86 -32.53 16.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.638 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' B' ' 351' ' ' GLY . 10.7 t70 -132.77 -120.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.629 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 25.39 75.78 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . 0.661 ' O ' ' CB ' ' B' ' 353' ' ' ALA . . . -116.54 178.92 4.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.803 0.335 . . . . 0.0 110.451 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.661 ' CB ' ' O ' ' B' ' 352' ' ' ALA . . . 94.08 -141.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.555 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -95.24 62.05 2.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.74 144.61 41.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.39 -55.58 8.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.82 -32.02 67.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.444 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.84 92.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.487 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 79.7 mt -76.03 -29.53 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.471 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 360' ' ' MET . . . . . 0.494 ' SD ' ' OG1' ' B' ' 238' ' ' THR . 5.8 ttt -65.78 -55.58 16.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 35.8 m -59.08 -42.58 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -58.82 -55.39 35.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.02 -30.12 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.519 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -66.82 -31.54 72.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.52 27.74 19.02 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.61 130.78 22.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.939 0.4 . . . . 0.0 110.639 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.24 124.35 8.96 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.781 2.321 . . . . 0.0 112.167 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 53.8 m -141.75 142.37 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.643 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -136.01 146.42 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.608 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.465 ' O ' ' N ' ' B' ' 174' ' ' LEU . 1.7 mtp -134.02 163.16 30.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 93.03 5.56 63.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -58.52 110.57 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.473 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.28 31.74 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.6 tp -119.16 136.46 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' B' ' 375' ' ' GLN . 3.7 mm100 -75.4 143.62 76.53 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -72.45 -23.05 20.72 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.805 2.337 . . . . 0.0 112.144 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 45.1 t -52.55 -40.27 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 375' ' ' GLN . 28.5 m -77.76 -31.08 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' B' ' 381' ' ' ARG . 72.7 mt -69.75 -37.28 76.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.536 ' O ' ' O ' ' B' ' 185' ' ' GLY . 3.1 t-80 31.84 -84.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.508 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.695 ' N ' ' O ' ' B' ' 379' ' ' LEU . 1.2 ptp85 -143.11 28.16 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.43 170.71 15.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.611 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 383' ' ' THR . . . . . 0.411 ' CG2' ' CD1' ' B' ' 385' ' ' ILE . 77.5 m -75.6 124.41 27.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.63 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 7.5 tp -124.94 112.39 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.481 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . 0.488 ' O ' HG21 ' B' ' 385' ' ' ILE . 1.8 mp -111.57 90.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.622 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . 0.544 HG22 ' H ' ' B' ' 387' ' ' ASP . 7.4 p -82.79 156.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.4 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.715 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.3 t0 -136.04 90.0 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.82 -46.63 31.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -50.95 -40.1 56.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.781 0.324 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' B' ' 392' ' ' GLU . 0.5 OUTLIER -114.39 11.57 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.526 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 34.35 46.68 0.54 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' B' ' 390' ' ' ARG . 46.7 mt-10 -112.46 151.45 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.574 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 4.3 tt -126.32 117.9 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.564 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 79.7 mt -105.76 153.28 22.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.581 ' O ' ' C ' ' B' ' 396' ' ' ASP . 0.0 OUTLIER -126.36 107.44 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.581 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.0 OUTLIER 24.65 55.45 0.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.564 ' HG3' ' HB3' ' B' ' 394' ' ' LEU . 43.6 Cg_endo -71.48 166.42 29.42 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.762 2.308 . . . . 0.0 112.068 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -48.47 158.26 0.63 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -70.88 -16.54 32.83 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.927 2.418 . . . . 0.0 111.983 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . 0.403 HG22 ' H ' ' B' ' 401' ' ' LEU . 33.2 m -77.91 -37.32 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . 0.403 ' H ' HG22 ' B' ' 400' ' ' VAL . 1.1 tp -59.06 -50.51 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.58 -34.74 78.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -61.15 -56.6 18.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . 0.477 ' OE2' ' NH1' ' B' ' 407' ' ' ARG . 19.3 mm-40 -63.18 -31.85 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.489 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -50.65 -49.58 56.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -61.32 -39.19 89.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.477 ' NH1' ' OE2' ' B' ' 404' ' ' GLU . 20.1 mtm180 -75.39 -29.58 59.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.562 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.43 -47.95 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 7.2 mm -63.31 -39.66 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 410' ' ' SER . . . . . 0.542 ' C ' ' H ' ' B' ' 412' ' ' GLU . 89.9 p -74.94 -17.41 60.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' B' ' 412' ' ' GLU . 15.3 tt0 -73.36 34.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.551 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . 1.098 ' O ' ' N ' ' B' ' 414' ' ' GLU . 23.2 tt0 86.33 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.628 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 0.846 ' CG2' ' O ' ' B' ' 413' ' ' ILE . 0.2 OUTLIER -22.98 62.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.541 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 1.098 ' N ' ' O ' ' B' ' 412' ' ' GLU . 69.3 tt0 -134.44 105.5 6.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . 0.755 ' N ' ' CD1' ' B' ' 415' ' ' LEU . 0.0 OUTLIER -42.59 -17.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 416' ' ' SER . . . . . 0.684 ' H ' HD12 ' B' ' 415' ' ' LEU . 48.4 m -76.14 -43.48 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' B' ' 414' ' ' GLU . 0.0 OUTLIER -94.7 -42.51 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 25.2 tp -171.18 117.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -92.85 119.61 32.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.72 53.53 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.6 164.48 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.622 ' N ' ' OD1' ' B' ' 422' ' ' ASP . 4.0 p-10 -175.56 -82.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . 0.544 ' H ' ' CG ' ' B' ' 422' ' ' ASP . 8.9 p -93.31 128.45 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.597 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 58.0 t30 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.9 -1.047 . . . . 0.0 110.516 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.4 p -83.3 158.65 22.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.6 t -132.29 119.87 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -127.28 172.31 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.633 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -162.41 133.49 5.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.5 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.1 m -78.62 129.58 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.712 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.504 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 16.4 m -130.52 123.59 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.424 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 24.1 pt-20 -80.46 128.02 33.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.644 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 mm -91.51 105.72 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.479 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 1.066 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 47.0 p -83.59 56.84 3.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.636 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 1.066 ' OD1' ' C ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 64.66 20.62 12.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -161.38 103.35 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -2.39 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.586 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.678 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 115.11 31.59 2.02 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.678 ' CB ' ' O ' ' A' ' 14' ' ' GLY . 7.9 tpt 94.88 49.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.83 0.348 . . . . 0.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.636 ' ND1' ' O ' ' A' ' 16' ' ' HIS . 21.3 p80 -31.01 91.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 15' ' ' MET . . . 158.49 -31.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.899 ' H ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -109.2 -42.03 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.537 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.899 ' HD2' ' H ' ' A' ' 18' ' ' ARG . 34.1 Cg_endo -67.58 -50.11 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.767 2.311 . . . . 0.0 112.131 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.89 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.519 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.647 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -74.56 -42.06 59.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.687 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 17.2 mtpp -59.71 -38.53 81.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.82 -46.07 41.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.69 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -56.37 -38.51 71.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -74.19 -33.99 63.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.915 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 68.5 mt -69.99 -38.6 76.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.712 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.848 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 24.0 ttp -60.05 -27.23 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.573 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -87.68 -30.05 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.718 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.79 -27.78 37.15 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.915 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.9 p90 -117.23 138.84 51.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.675 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 16.5 m-20 -80.35 111.7 16.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.454 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.745 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 155.64 148.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -98.32 127.45 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.692 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.403 ' O ' HD12 ' A' ' 35' ' ' LEU . 22.1 t -105.45 134.62 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.487 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 34' ' ' VAL . 1.1 mp -135.78 136.17 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.602 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 1.5 mm? -105.34 150.55 25.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.42 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.716 ' O ' HG23 ' A' ' 63' ' ' ILE . 2.9 mtt180 -147.29 134.07 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.554 HD22 ' CB ' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -91.97 154.61 18.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 42.9 p-10 -51.78 -28.49 15.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.608 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 19.5 mt-10 -67.35 -10.87 55.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.592 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.37 11.3 59.8 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.22 117.35 23.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.702 0.287 . . . . 0.0 110.568 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -78.28 102.49 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.58 65.75 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -41.21 120.94 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.67 -10.32 12.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.471 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 54.7 p30 -99.58 27.56 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.6 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -145.52 123.1 11.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.401 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 1.6 m -63.0 -36.74 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.406 HG22 ' CE1' ' B' ' 283' ' ' PHE . 11.6 pt -60.82 -37.08 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.62 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.19 93.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.535 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.3 mp -57.96 -39.02 77.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.487 ' O ' ' OD2' ' B' ' 288' ' ' ASP . 3.8 mp -64.64 -36.45 84.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.1 ttm -68.43 -36.51 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.62 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.37 -34.89 78.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' OD2' ' HG ' ' B' ' 291' ' ' LEU . 8.1 m-20 -53.6 -34.32 58.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.647 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.541 ' HG ' HH22 ' A' ' 61' ' ' ARG . 59.6 p -76.84 -6.96 54.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.58 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.554 ' CB ' HD22 ' A' ' 38' ' ' ASN . . . -82.69 29.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -69.43 96.74 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.44 5.04 37.33 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.541 HH22 ' HG ' ' A' ' 57' ' ' SER . 38.9 mtt85 -105.97 165.14 11.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.61 144.86 26.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.716 HG23 ' O ' ' A' ' 37' ' ' ARG . 2.4 mt -131.56 160.49 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.588 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.563 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 8.9 mt-10 -123.85 101.6 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.507 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.436 ' C ' ' OE2' ' A' ' 66' ' ' GLU . 48.1 t -81.35 128.52 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' OE2' ' C ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -120.3 139.47 52.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.06 131.75 28.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.436 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -122.66 143.95 49.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.66 -175.05 19.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.415 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 55.4 Cg_endo -74.13 -37.27 2.77 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.849 2.366 . . . . 0.0 112.058 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.858 ' CD ' ' HB2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -95.83 -0.38 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.736 ' CD ' ' H ' ' A' ' 73' ' ' GLU . 6.0 pm0 -32.16 -42.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.65 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.736 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 29.9 tt0 -58.06 -53.58 56.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.805 ' HB2' ' HG2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -56.58 -50.67 71.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.625 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.846 ' HB3' HE22 ' A' ' 71' ' ' GLN . . . -55.61 -48.73 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.71 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.575 ' O ' ' CG2' ' A' ' 80' ' ' ILE . 1.8 tt -66.65 -43.24 85.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.61 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.894 ' O ' HG13 ' A' ' 80' ' ' ILE . . . -62.05 -42.67 99.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.752 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.99 97.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.705 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.43 -42.4 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.894 HG13 ' O ' ' A' ' 77' ' ' ALA . 1.3 pp -65.62 -39.05 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.671 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.469 ' N ' HG13 ' A' ' 80' ' ' ILE . . . -66.45 -35.83 81.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.677 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -73.39 -37.65 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.581 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -73.73 -23.4 59.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.544 ' O ' ' OD1' ' A' ' 84' ' ' ASN . 29.3 t-20 -88.62 -6.7 57.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.1 p . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.627 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 97.5 mt -121.33 137.74 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -88.63 111.65 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -112.54 155.45 24.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' B' ' 370' ' ' MET . 38.6 mt -74.49 115.44 43.57 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . 0.533 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 43.4 Cg_endo -71.4 111.32 3.07 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.785 2.323 . . . . 0.0 112.134 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -98.08 -41.3 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -129.2 100.96 19.71 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.548 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -47.4 143.45 11.35 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.829 2.353 . . . . 0.0 112.087 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 141.79 157.82 7.31 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.62 140.73 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.37 . . . . 0.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -152.5 147.19 25.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . 0.651 ' N ' ' CD1' ' B' ' 182' ' ' ILE . 0.2 OUTLIER -128.77 139.06 52.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 174.38 176.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.52 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . 0.431 ' OE1' ' CG ' ' B' ' 381' ' ' ARG . 2.1 mt-10 -77.32 159.36 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.423 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.695 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -92.62 142.52 16.04 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -157.57 121.5 4.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.613 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -108.01 132.02 53.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -84.97 74.56 10.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.604 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.612 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -95.73 16.93 16.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.505 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 190' ' ' THR . . . . . 0.612 ' C ' ' O ' ' B' ' 189' ' ' ALA . 16.7 p -19.49 117.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.482 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' B' ' 193' ' ' LEU . 3.0 mt -39.33 105.12 0.34 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.728 ' O ' ' N ' ' B' ' 194' ' ' MET . 52.5 Cg_exo -48.01 83.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.818 2.345 . . . . 0.0 112.065 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' B' ' 191' ' ' LEU . 0.3 OUTLIER -40.46 -11.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 194' ' ' MET . . . . . 0.728 ' N ' ' O ' ' B' ' 192' ' ' PRO . 5.6 tmm? -58.86 -39.75 82.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -95.12 4.16 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -104.12 -32.31 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . 0.595 ' O ' ' CD1' ' B' ' 198' ' ' TYR . 10.0 p -57.75 150.77 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.586 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' B' ' 197' ' ' VAL . 3.9 m-85 -172.75 79.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.3 175.05 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.465 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -83.9 -168.58 2.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.59 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 68.8 m -132.9 99.89 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 13.2 t -156.44 140.7 16.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.555 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.46 130.3 23.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.9 OUTLIER -150.19 49.08 0.59 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . 0.615 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 56.9 Cg_exo -46.92 -33.47 14.49 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.824 2.349 . . . . 0.0 112.093 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -79.19 -61.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' B' ' 211' ' ' ARG . 47.6 mt -63.94 -42.13 97.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.691 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 1.5 tp10 -63.29 -61.17 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 33.7 ttp180 -54.23 -46.05 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -66.17 -36.48 83.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.524 ' NH1' ' OE1' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -55.47 -45.1 76.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 3.8 tp -66.35 -51.85 52.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 39.9 p -52.08 -47.85 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.549 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.77 85.31 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.95 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.712 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.5 OUTLIER -58.2 -45.34 87.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.691 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.42 -21.65 64.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.626 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' B' ' 222' ' ' GLU . 1.0 OUTLIER -94.82 -31.89 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.58 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.34 -46.93 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -59.31 -51.37 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -70.07 -28.5 65.48 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.613 ' OE2' ' CD2' ' B' ' 226' ' ' TYR . 1.5 tm-20 -70.33 -43.33 70.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.48 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . 0.627 ' CZ ' ' NH1' ' B' ' 304' ' ' ARG . 0.6 OUTLIER -70.73 -35.93 72.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.406 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' B' ' 228' ' ' LYS . 67.8 mtp180 -63.75 -48.95 74.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.572 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -73.33 -39.38 65.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.466 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.613 ' CD2' ' OE2' ' B' ' 222' ' ' GLU . 4.6 m-30 -52.27 -59.46 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 227' ' ' SER . . . . . 0.722 ' OG ' ' HB2' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -67.15 -49.6 64.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' B' ' 224' ' ' ARG . 25.5 tptt -37.79 -54.07 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -63.04 -46.21 88.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.611 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . 0.647 ' O ' ' N ' ' B' ' 234' ' ' ALA . 4.3 m-85 -52.35 -51.91 56.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -54.45 -41.41 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.453 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -53.62 -17.08 1.88 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.528 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -129.04 -23.19 1.17 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.647 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -95.19 -157.32 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.605 ' HG3' ' H ' ' B' ' 237' ' ' GLU . 4.5 pt20 -99.13 177.34 5.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.515 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -61.74 -39.08 90.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.605 ' H ' ' HG3' ' B' ' 235' ' ' GLN . 55.8 tt0 -42.16 -46.49 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.526 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.403 ' H ' ' HG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -58.83 -61.99 2.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -53.95 -40.39 66.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.441 ' HB3' HH11 ' A' ' 18' ' ' ARG . . . -59.49 -37.81 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . 0.496 HG21 ' N ' ' B' ' 242' ' ' PHE . 1.2 mp -60.28 -56.47 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.65 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.735 ' C ' ' CD1' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -53.61 -55.81 22.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.458 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.735 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 65.3 t0 -38.55 -43.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . 0.593 HD12 ' O ' ' B' ' 244' ' ' LEU . 12.8 tp -74.81 -38.75 62.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.589 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' B' ' 242' ' ' PHE . 10.7 m-30 -62.5 -53.1 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.527 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 246' ' ' SER . . . . . 0.565 ' O ' ' OG ' ' B' ' 250' ' ' SER . 31.1 t -49.61 -46.46 49.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.635 ' O ' ' HB2' ' B' ' 251' ' ' ASP . 1.6 t60 -72.37 -27.56 62.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.581 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.638 ' C ' ' CD1' ' B' ' 248' ' ' LEU . 2.0 tm? -69.88 -50.72 39.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.643 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . 0.529 ' N ' HD13 ' B' ' 248' ' ' LEU . 3.1 tp -78.93 -42.94 25.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.505 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 250' ' ' SER . . . . . 0.565 ' OG ' ' O ' ' B' ' 246' ' ' SER . 51.8 p -70.37 -13.43 62.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.614 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.635 ' HB2' ' O ' ' B' ' 247' ' ' HIS . 66.3 t0 -47.88 116.63 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 80.3 p -54.89 -15.77 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.534 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -49.33 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.645 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.28 -46.69 85.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.68 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.411 HH21 ' HD3' ' B' ' 255' ' ' ARG . 11.0 ttp180 -53.14 -55.59 22.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.696 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -38.32 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.606 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.93 -43.29 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.16 -51.45 68.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -60.93 -34.58 74.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.758 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.18 93.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.26 -35.47 81.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.723 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.0 -34.14 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -18.85 28.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.669 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -92.56 -23.06 19.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.576 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.42 13.96 3.73 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 47.5 t -87.86 154.08 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.688 ' O ' ' HB3' ' B' ' 271' ' ' ALA . 0.0 OUTLIER -100.13 154.02 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.549 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . 0.444 ' H ' ' CD ' ' B' ' 208' ' ' GLU . . . -59.17 -46.57 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.593 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.524 ' OE1' ' NH1' ' B' ' 211' ' ' ARG . 0.6 OUTLIER -43.15 -54.28 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.515 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -84.92 -34.66 22.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.48 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' B' ' 267' ' ' VAL . . . -52.55 -51.33 60.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.515 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' B' ' 276' ' ' ILE . 34.4 m -60.91 -33.31 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -74.28 -49.32 23.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.532 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 20.9 p -59.14 -54.41 47.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.643 HG21 ' H ' ' B' ' 276' ' ' ILE . 33.8 m -56.89 -51.78 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.643 ' H ' HG21 ' B' ' 275' ' ' VAL . 10.3 mm -59.27 -44.33 91.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.44 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 88.1 mt-10 -63.77 -42.69 97.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -38.79 91.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -74.2 -35.51 63.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.5 68.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 3.0 mp0 -68.89 -37.69 79.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.71 -40.65 95.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.565 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' B' ' 298' ' ' LEU . 7.9 m-85 -64.06 -44.23 93.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.511 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.25 77.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.614 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -43.89 -32.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.6 ' CD1' ' OD2' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -63.09 155.16 28.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.479 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 287' ' ' SER . . . . . 0.491 ' H ' HD11 ' B' ' 286' ' ' LEU . 37.2 m -89.87 -36.08 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.713 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.661 ' O ' ' HB3' ' B' ' 292' ' ' LYS . 0.6 OUTLIER -50.88 93.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . 0.517 ' ND2' ' H ' ' B' ' 290' ' ' TYR . 0.1 OUTLIER -60.59 -39.31 87.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . 0.517 ' H ' ' ND2' ' B' ' 289' ' ' ASN . 15.2 t80 -58.27 -22.24 51.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' B' ' 294' ' ' ARG . 0.3 OUTLIER -117.26 -55.97 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.661 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -35.09 -36.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.411 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' B' ' 292' ' ' LYS . 10.9 tm-20 -51.92 -33.46 37.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' B' ' 297' ' ' ASP . 0.9 OUTLIER -38.27 -35.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' B' ' 294' ' ' ARG . . . -35.83 -51.32 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.412 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -55.21 -40.1 73.84 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' B' ' 294' ' ' ARG . 96.5 m-20 -63.39 -47.75 80.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.831 0.348 . . . . 0.0 110.448 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -54.87 -51.06 67.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.355 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -59.96 -41.26 91.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.376 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . 0.474 ' CB ' HG21 ' B' ' 333' ' ' THR . . . -62.53 -39.74 94.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.356 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.87 -42.43 99.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.289 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -54.34 -48.73 63.04 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . 0.561 ' HG2' ' N ' ' B' ' 304' ' ' ARG . 0.5 OUTLIER -55.58 -42.09 74.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.788 0.327 . . . . 0.0 110.358 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.627 ' NH1' ' CZ ' ' B' ' 223' ' ' PHE . 6.4 mmm-85 -65.47 -45.09 85.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.382 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -36.14 82.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.513 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 17.7 tp -67.31 -35.91 80.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . 0.871 ' CG ' ' NE2' ' B' ' 314' ' ' GLN . 3.1 m-85 -64.34 -43.23 95.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 79.2 m-70 -71.93 -29.12 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.11 -20.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.636 ' C ' ' H ' ' B' ' 312' ' ' ALA . 0.5 OUTLIER -108.55 115.38 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -45.67 -8.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.636 ' H ' ' C ' ' B' ' 310' ' ' ASP . . . -82.16 -18.07 44.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.539 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' B' ' 314' ' ' GLN . 55.1 t30 62.21 -67.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . 0.871 ' NE2' ' CG ' ' B' ' 307' ' ' PHE . 0.3 OUTLIER 82.98 162.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.593 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 136.52 70.66 0.06 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.55 -16.25 21.53 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.77 2.313 . . . . 0.0 112.155 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -56.86 113.2 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . 0.412 ' C ' ' HD3' ' B' ' 320' ' ' PRO . . . -68.25 174.63 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.558 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -123.9 64.02 31.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' B' ' 318' ' ' ALA . 62.2 Cg_exo -46.31 157.77 0.4 Allowed 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.864 2.376 . . . . 0.0 112.066 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 12.9 pm0 -79.21 -15.83 57.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.594 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -156.04 115.47 3.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.617 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.671 ' CE2' ' NE ' ' B' ' 342' ' ' ARG . 1.8 p90 -154.98 166.24 34.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.61 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 20.8 mt -119.64 138.32 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.44 122.1 28.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 42.1 t -123.14 90.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.504 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -125.18 147.63 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 18.5 p-10 -65.36 -30.07 70.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -139.89 125.8 19.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.8 tp -73.5 121.78 21.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.545 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 74.0 m -120.97 119.56 32.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.659 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.56 -46.59 86.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 333' ' ' THR . . . . . 0.474 HG21 ' CB ' ' B' ' 300' ' ' ALA . 3.8 t -56.84 -36.92 70.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.612 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 59.8 m -68.26 -45.61 72.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.692 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.3 OUTLIER -51.86 -36.48 48.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.402 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -63.05 18.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.692 ' H ' ' C ' ' B' ' 335' ' ' LEU . 67.5 mt-10 -110.77 -48.09 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 20.1 mt -100.25 120.59 56.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . 0.506 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 52.3 Cg_exo -47.48 138.83 18.19 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.908 2.405 . . . . 0.0 112.203 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -10.38 50.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.548 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.734 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 12.1 p30 -66.61 -40.04 88.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.435 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.734 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 11.4 ptm180 -86.67 -16.11 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.574 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 37.8 tp -73.68 104.38 4.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.22 27.99 3.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.505 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 151.87 154.95 6.8 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.409 ' CG2' ' N ' ' B' ' 347' ' ' VAL . 1.5 p -155.33 153.13 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.765 0.316 . . . . 0.0 110.54 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . 0.409 ' N ' ' CG2' ' B' ' 346' ' ' VAL . 12.9 m -148.32 140.27 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.614 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 35.0 m -132.07 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' B' ' 372' ' ' ALA . 6.5 ptm180 -117.99 1.56 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.892 ' O ' ' N ' ' B' ' 352' ' ' ALA . 1.3 t70 -143.38 -48.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -48.56 60.8 0.0 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . 0.892 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -42.08 157.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.546 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.406 ' HB1' HH12 ' B' ' 362' ' ' ARG . . . -70.58 31.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.452 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . 0.592 ' H ' ' C ' ' B' ' 352' ' ' ALA . 16.8 m120 -111.03 -13.42 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 96.5 p -80.1 152.32 29.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.504 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -61.21 -36.16 79.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.44 -43.19 99.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.87 91.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.1 mt -67.54 -36.94 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -62.83 -50.6 70.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.457 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -44.0 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.406 HH12 ' HB1' ' B' ' 353' ' ' ALA . 6.9 ttm-85 -58.09 -45.53 87.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.79 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.75 -29.41 66.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.478 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 95.09 28.8 9.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . 0.484 HD11 HG22 ' B' ' 366' ' ' ILE . 41.5 mm -106.7 127.37 28.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.892 0.377 . . . . 0.0 110.644 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.26 125.29 10.26 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.934 2.423 . . . . 0.0 112.166 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 8.1 m -141.44 134.41 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.62 152.57 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.469 ' O ' ' N ' ' B' ' 174' ' ' LEU . 1.7 tmm? -135.0 153.25 52.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 96.31 -7.26 66.38 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' B' ' 349' ' ' ARG . . . -49.28 109.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.303 . . . . 0.0 110.57 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 60.1 p30 -104.37 25.85 9.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 10.5 tp -101.39 124.8 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.638 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -69.29 124.64 90.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . 0.47 ' O ' ' ND1' ' B' ' 380' ' ' HIS . 51.4 Cg_endo -73.16 -7.99 21.38 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.842 2.361 . . . . 0.0 112.09 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 40.3 t -64.28 -35.92 82.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.511 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 58.2 t -82.07 -41.16 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.445 ' CA ' ' HB2' ' B' ' 382' ' ' ARG . 10.2 mp -78.85 -74.29 0.29 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.609 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.695 ' O ' ' O ' ' B' ' 185' ' ' GLY . 1.8 m-70 59.77 -104.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.599 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.431 ' CG ' ' OE1' ' B' ' 184' ' ' GLU . 32.4 ttt180 -78.35 -0.37 28.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.49 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . 0.445 ' HB2' ' CA ' ' B' ' 379' ' ' LEU . 1.7 mtt-85 -64.61 163.15 14.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.491 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 383' ' ' THR . . . . . 0.509 ' H ' ' HG1' ' B' ' 383' ' ' THR . 0.0 OUTLIER -72.28 127.93 34.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.542 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.13 109.06 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.439 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.97 110.95 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 1.5 p -97.4 146.16 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.395 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.69 ' O ' ' N ' ' B' ' 391' ' ' GLY . 66.4 t0 -135.1 82.07 1.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . 0.533 ' O ' ' HB3' ' B' ' 175' ' ' PRO . . . -47.74 -48.0 23.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . 0.483 ' CE2' HD13 ' B' ' 418' ' ' LEU . 27.2 t80 -39.52 -52.55 2.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.26 8.25 19.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.521 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 41.79 55.06 4.11 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.66 152.76 36.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.476 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 90.3 mt -121.48 125.77 47.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 16.1 mt -112.49 150.69 30.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 1.026 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 12.0 t -118.76 102.87 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.614 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.68 ' C ' ' O ' ' B' ' 395' ' ' VAL . 35.8 p-10 5.29 54.18 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.537 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 1.026 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 50.4 Cg_exo -48.27 -162.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.801 2.334 . . . . 0.0 112.072 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -68.27 120.67 76.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.461 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.05 -36.08 20.2 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.849 2.366 . . . . 0.0 112.152 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . 0.528 HG22 ' H ' ' B' ' 401' ' ' LEU . 3.7 m -72.97 -42.84 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . 0.528 ' H ' HG22 ' B' ' 400' ' ' VAL . 1.0 OUTLIER -60.61 -40.7 92.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.6 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -21.19 59.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.572 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -67.94 -54.24 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.79 -37.89 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.619 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -46.43 -51.09 15.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.674 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -31.63 72.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -79.72 -32.26 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -49.43 56.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.553 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 15.2 tt -65.78 -35.88 76.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.543 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -76.49 -16.23 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -63.35 -73.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.556 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 171.16 11.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.615 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 0.67 ' CG2' ' O ' ' B' ' 413' ' ' ILE . 2.4 mp -75.51 55.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -123.38 111.78 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.566 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.68 -18.85 46.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.527 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 416' ' ' SER . . . . . 0.405 ' HB2' ' H ' ' B' ' 417' ' ' ARG . 0.9 OUTLIER -124.74 -80.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . 0.405 ' H ' ' HB2' ' B' ' 416' ' ' SER . 0.2 OUTLIER -139.39 -27.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.452 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' B' ' 389' ' ' TYR . 85.5 mt -140.65 -119.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.513 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' B' ' 418' ' ' LEU . . . 165.68 -80.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.536 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . 0.405 ' OE1' ' OD2' ' B' ' 387' ' ' ASP . 4.3 mt-10 54.23 64.04 1.96 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' B' ' 422' ' ' ASP . 11.0 t0 -145.13 -169.11 3.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.588 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' B' ' 423' ' ' VAL . 44.3 t0 -54.12 141.2 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.488 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . 0.512 ' N ' ' OD1' ' B' ' 422' ' ' ASP . 74.3 t -60.05 -57.37 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.619 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 67.1 t30 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.512 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.59 ' CG2' ' OG1' ' A' ' 68' ' ' THR . 0.1 OUTLIER -82.43 158.04 23.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -132.61 118.86 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 171.17 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -160.02 133.72 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.1 p -79.63 129.12 34.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.1 125.08 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 8' ' ' GLU . 1.4 pm0 -81.88 125.44 30.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.66 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.811 HG22 ' H ' ' A' ' 60' ' ' GLY . 17.8 tt -88.53 105.56 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.611 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.1 p -82.67 57.01 3.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.448 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.4 m120 63.57 23.19 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.572 ' HZ3' ' HG ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -164.4 103.3 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.653 ' CD2' ' H ' ' A' ' 13' ' ' LEU . 1.9 pt? -66.85 -0.98 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.637 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 146.9 -76.61 0.26 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.422 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 30.8 mmm -134.03 -163.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.497 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.595 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -55.47 -23.95 28.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.595 ' CB ' ' O ' ' A' ' 16' ' ' HIS . . . 154.57 0.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.533 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.595 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 21.2 mtt-85 -54.47 -45.62 99.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 50.8 Cg_exo -48.41 -49.75 13.76 Favored 'Trans proline' 0 C--N 1.303 -1.831 0 C-N-CA 122.916 2.411 . . . . 0.0 112.102 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.57 89.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.702 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -68.5 -42.56 78.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.702 ' N ' ' HG3' ' A' ' 21' ' ' MET . 7.0 tttp -63.44 -36.69 84.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -49.37 -44.43 44.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 13.1 m-85 -58.24 -37.66 75.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -75.2 -34.62 61.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.606 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.889 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 4.0 mm? -68.32 -39.97 81.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.826 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 64.4 ttp -59.2 -28.34 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -86.53 -28.91 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.637 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.43 -25.62 38.84 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.8 p90 -119.04 138.02 53.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.588 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 3.4 m-20 -80.03 109.64 14.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.609 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.759 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 157.75 149.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.569 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 34' ' ' VAL . 9.4 tp10 -99.58 126.52 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' N ' ' OE2' ' A' ' 33' ' ' GLU . 40.8 t -104.0 134.94 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.497 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -136.15 136.53 40.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -107.89 149.61 28.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -147.31 134.67 20.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -91.03 155.91 18.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.76 -27.04 16.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 85.7 tt0 -68.5 -9.79 51.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.582 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.07 12.26 60.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.3 m -85.45 116.69 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.659 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 32.3 mp0 -77.59 103.63 7.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.4 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.67 65.24 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.582 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -40.78 121.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.519 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.572 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.66 -9.19 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -100.02 26.77 6.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.641 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 124.93 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.459 ' H ' HG21 ' A' ' 49' ' ' VAL . 2.3 t -64.78 -35.43 75.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.782 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -61.58 -35.63 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.615 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' N ' HD12 ' A' ' 50' ' ' ILE . . . -67.02 -41.38 86.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.488 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 57.4 tp -59.39 -38.19 79.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.576 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.782 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -65.94 -34.85 79.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.477 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 2.1 tmt? -69.93 -35.54 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.63 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.9 tp -64.16 -35.54 81.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.488 ' OD1' ' O ' ' A' ' 52' ' ' LEU . 5.2 m-20 -52.93 -35.24 58.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.2 m -76.22 -6.28 50.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.688 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -83.28 28.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -68.57 97.85 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.811 ' H ' HG22 ' A' ' 9' ' ' ILE . . . 105.02 5.08 41.38 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.569 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -105.91 164.18 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.516 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -97.95 142.48 29.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.644 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -130.12 162.12 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.439 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.644 ' N ' HG13 ' A' ' 63' ' ' ILE . 99.1 mt-10 -123.4 102.31 7.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.546 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.17 127.38 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.557 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -120.1 139.78 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.616 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.99 131.83 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.59 ' OG1' ' CG2' ' A' ' 2' ' ' THR . 0.3 OUTLIER -124.34 128.7 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.555 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 141.83 161.49 8.77 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.0 -45.64 20.61 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.798 2.332 . . . . 0.0 112.117 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' GLU . 28.9 mm-40 -92.57 5.74 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.514 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 17.0 pt-20 -36.98 -37.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -64.5 -48.67 74.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.496 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -57.54 -52.08 66.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.83 -50.22 69.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.599 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.959 ' O ' HG13 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -64.14 -43.95 93.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.911 ' O ' HG13 ' A' ' 80' ' ' ILE . . . -62.58 -41.87 99.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.52 98.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.959 HG13 ' O ' ' A' ' 76' ' ' LEU . 3.4 p -65.99 -44.29 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.572 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.911 HG13 ' O ' ' A' ' 77' ' ' ALA . 1.6 pp -63.33 -41.55 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.91 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -73.6 -36.51 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.603 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.4 m-85 -69.37 -33.32 72.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.55 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.464 ' OD1' ' O ' ' A' ' 80' ' ' ILE . 18.4 m120 -82.18 -5.7 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.572 ' HG ' ' HZ3' ' A' ' 12' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.53 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 393' ' ' LEU . 5.9 tpm_? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . 0.43 HD12 HG22 ' B' ' 171' ' ' ILE . 96.4 mt -122.89 130.35 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.601 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -76.09 136.81 39.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.476 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' B' ' 370' ' ' MET . . . -141.33 156.9 45.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.697 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.23 114.12 28.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.81 107.35 2.32 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -85.17 -39.67 17.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.478 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . 0.513 ' HB1' ' H ' ' B' ' 368' ' ' THR . . . -139.48 133.97 16.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.05 141.91 37.34 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.779 2.32 . . . . 0.0 112.259 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 139.4 160.74 8.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.29 137.46 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.513 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -145.23 146.81 31.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.53 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 26.7 pt -132.88 134.07 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.572 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 177.48 172.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . 0.76 ' O ' ' CG2' ' B' ' 324' ' ' ILE . 2.5 mp0 -72.73 162.48 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.588 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -93.01 134.45 12.18 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -120.09 102.55 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.544 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' B' ' 187' ' ' GLN . 2.5 pm0 -68.8 143.9 54.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.64 ' CG ' ' HG1' ' B' ' 190' ' ' THR . 47.8 t0 -76.29 100.36 5.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -62.49 -34.24 76.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.538 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 190' ' ' THR . . . . . 0.64 ' HG1' ' CG ' ' B' ' 188' ' ' ASP . 18.4 p -31.32 105.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.517 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 1.6 tt -132.98 115.77 14.33 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.799 ' C ' ' H ' ' B' ' 194' ' ' MET . 51.4 Cg_endo -72.98 74.47 2.91 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.751 2.301 . . . . 0.0 112.077 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' B' ' 196' ' ' GLN . 0.6 OUTLIER -42.54 -3.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 194' ' ' MET . . . . . 0.799 ' H ' ' C ' ' B' ' 192' ' ' PRO . 0.0 OUTLIER -45.51 -27.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.629 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.17 -27.59 42.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.64 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' B' ' 193' ' ' LEU . 0.3 OUTLIER -95.34 8.9 41.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.55 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' B' ' 196' ' ' GLN . 9.8 p -36.18 153.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . 0.426 ' H ' HG23 ' B' ' 197' ' ' VAL . 18.9 t80 -137.5 138.54 39.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.607 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . 0.446 ' CA ' ' OE1' ' B' ' 199' ' ' GLN . 0.0 OUTLIER -70.28 138.99 52.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.685 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -147.37 117.63 7.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.59 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 33.2 t -78.57 88.75 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.25 91.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.661 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.631 ' CD2' ' N ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -100.29 153.36 19.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.924 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.1 OUTLIER -155.64 104.25 2.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -71.53 -17.11 30.37 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.869 2.379 . . . . 0.0 112.036 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -100.5 -49.1 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . 0.482 ' O ' ' CG ' ' B' ' 211' ' ' ARG . 1.0 OUTLIER -74.6 -31.3 61.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.455 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.924 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 65.3 mm-40 -75.86 -62.27 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . 0.48 ' CG ' ' CD1' ' B' ' 259' ' ' PHE . 0.0 OUTLIER -49.75 -55.71 12.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.449 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' B' ' 206' ' ' ALA . 70.4 mt-10 -57.55 -43.74 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.373 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.581 ' NH1' ' OE2' ' B' ' 269' ' ' GLU . 10.6 mtp180 -52.38 -40.13 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . 0.512 HD22 ' CB ' ' B' ' 258' ' ' LEU . 1.1 mp -63.7 -48.31 77.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 62.1 m -56.41 -47.43 79.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.314 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.33 -38.69 96.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.81 -43.94 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.461 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.64 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.9 tt -60.32 -46.9 88.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.509 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.45 -32.5 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' B' ' 222' ' ' GLU . 19.0 tp10 -79.67 -31.47 41.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . 0.476 ' HB1' ' ND1' ' B' ' 308' ' ' HIS . . . -91.61 -45.88 8.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.64 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.17 -51.01 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.564 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -19.38 63.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' B' ' 218' ' ' GLU . 0.6 OUTLIER -66.6 -52.03 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.434 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . 0.81 ' CD1' ' N ' ' B' ' 224' ' ' ARG . 1.6 p90 -68.0 -40.0 83.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . 0.81 ' N ' ' CD1' ' B' ' 223' ' ' PHE . 10.4 ttp-105 -52.54 -50.07 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -74.41 -32.02 62.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.713 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.4 OUTLIER -62.57 -62.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.508 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 227' ' ' SER . . . . . 0.684 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 90.1 p -55.54 -52.59 63.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.584 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . 0.531 ' HZ2' ' HE ' ' B' ' 224' ' ' ARG . 84.4 mttt -43.39 -37.11 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . 0.416 ' NH2' ' HB3' ' B' ' 229' ' ' ARG . 0.6 OUTLIER -68.93 -38.55 79.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 227' ' ' SER . 7.3 m-85 -66.51 -43.79 84.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.589 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' B' ' 233' ' ' GLY . . . -53.32 -37.48 62.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.557 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.35 -9.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.508 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . 0.975 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -165.9 -97.37 0.11 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.975 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . 8.15 -145.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 110.591 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.498 ' O ' ' OG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -107.4 151.61 25.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -62.24 -27.83 69.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -57.91 -45.36 86.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 38.6 p -52.89 -51.46 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -54.51 -41.07 69.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.69 -41.17 85.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.507 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 41.1 mm -61.63 -47.45 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.613 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.783 ' C ' ' CD1' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -56.9 -53.04 62.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.605 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.616 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 2.4 t0 -45.73 -44.51 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' B' ' 248' ' ' LEU . 0.4 OUTLIER -75.96 -33.42 59.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.638 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.518 ' OH ' HD12 ' B' ' 301' ' ' LEU . 17.2 t80 -60.37 -41.46 93.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 246' ' ' SER . . . . . 0.521 ' O ' ' OG ' ' B' ' 250' ' ' SER . 3.1 m -57.15 -41.34 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.772 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 4.9 m-70 -61.56 -30.89 70.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.537 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.615 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 5.8 mt -74.79 -55.18 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.527 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 2.9 mt -69.82 -42.97 72.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 250' ' ' SER . . . . . 0.521 ' OG ' ' O ' ' B' ' 246' ' ' SER . 51.7 p -71.92 -18.02 62.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.913 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -55.85 108.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 1.6 m -57.78 -1.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.763 ' O ' ' HG3' ' B' ' 256' ' ' ARG . 0.0 OUTLIER -75.17 -39.66 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . 0.612 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 1.3 tp -67.73 -46.02 73.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.639 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -57.48 -48.22 79.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.677 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . 0.763 ' HG3' ' O ' ' B' ' 253' ' ' ARG . 5.4 ppt_? -66.82 -39.35 87.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' B' ' 256' ' ' ARG . 19.8 mm-40 -59.79 -51.78 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.586 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . 0.512 ' CB ' HD22 ' B' ' 212' ' ' LEU . 4.8 mt -60.84 -47.63 85.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . 0.48 ' CD1' ' CG ' ' B' ' 209' ' ' ARG . 51.6 t80 -59.09 -36.04 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.11 84.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.649 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.54 -38.92 91.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.544 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.77 -42.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -13.44 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.552 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -24.17 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 122.17 26.44 1.85 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 266' ' ' SER . . . . . 0.41 ' HG ' ' H ' ' B' ' 267' ' ' VAL . 21.3 t -103.98 159.94 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.41 ' H ' ' HG ' ' B' ' 266' ' ' SER . 2.2 t -98.7 149.17 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.594 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -54.4 -45.53 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.581 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.581 ' OE2' ' NH1' ' B' ' 211' ' ' ARG . 19.4 mp0 -46.39 -43.9 16.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . 0.627 ' O ' ' HG3' ' B' ' 273' ' ' LYS . 2.8 m95 -86.19 -28.19 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . . . . . . . . . . . -65.64 -46.91 77.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.495 ' O ' ' CG1' ' B' ' 276' ' ' ILE . 30.2 m -59.44 -42.64 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' B' ' 270' ' ' TRP . 0.0 OUTLIER -79.01 -44.18 22.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.595 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 274' ' ' THR . . . . . 0.608 ' H ' ' HG3' ' B' ' 273' ' ' LYS . 76.4 m -59.77 -56.49 21.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.6 -49.06 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' B' ' 272' ' ' VAL . 7.3 mm -58.15 -42.74 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.508 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.429 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 35.6 mm-40 -63.66 -36.69 84.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . 0.562 ' HZ1' ' CB ' ' B' ' 278' ' ' LYS . 0.0 OUTLIER -64.31 -39.82 94.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . 0.673 ' CD2' ' NE2' ' B' ' 282' ' ' GLN . 9.0 m-85 -79.39 -26.53 41.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.93 80.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.57 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 3.0 mp0 -77.68 -43.17 32.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . 0.673 ' NE2' ' CD2' ' B' ' 279' ' ' PHE . 3.9 pt20 -59.26 -29.86 67.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' B' ' 294' ' ' ARG . 0.2 OUTLIER -81.05 -34.1 33.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.587 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . 0.516 ' O ' ' NZ ' ' B' ' 292' ' ' LYS . . . -63.05 -37.34 86.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.446 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -52.0 -26.68 11.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.742 ' CD2' ' N ' ' B' ' 288' ' ' ASP . 2.8 tt -47.82 132.82 14.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 287' ' ' SER . . . . . 0.623 ' N ' HD22 ' B' ' 286' ' ' LEU . 96.8 p -82.24 -46.15 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.534 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.742 ' N ' ' CD2' ' B' ' 286' ' ' LEU . 0.0 OUTLIER -65.39 131.77 47.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.525 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -20.41 38.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . 0.495 ' CB ' ' OD2' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -59.54 -34.1 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.506 ' HB3' ' CD1' ' B' ' 286' ' ' LEU . 0.6 OUTLIER -109.34 -37.59 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.612 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.579 ' HB2' ' O ' ' B' ' 288' ' ' ASP . 13.3 tttp -44.53 -42.9 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -29.03 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.45 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.459 ' HB3' ' CE2' ' B' ' 283' ' ' PHE . 2.2 ttm-85 -46.1 -33.98 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -44.57 -48.91 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.73 -42.44 28.44 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -66.63 -40.05 88.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.82 0.343 . . . . 0.0 110.442 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' B' ' 301' ' ' LEU . 0.1 OUTLIER -61.2 -56.08 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.462 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 49.8 ttp85 -53.63 -42.87 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.299 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -65.3 -36.92 85.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . 0.518 HD12 ' OH ' ' B' ' 245' ' ' TYR . 14.5 tp -56.95 -44.06 82.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.393 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.6 -40.53 98.75 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -41.47 98.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.667 ' O ' ' ND1' ' B' ' 308' ' ' HIS . 1.6 mtp180 -67.18 -40.74 86.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.342 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -35.11 70.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.299 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.0 tp -66.59 -42.33 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.358 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . 0.653 ' CE2' ' ND2' ' B' ' 313' ' ' ASN . 8.7 m-85 -66.36 -40.83 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . 0.667 ' ND1' ' O ' ' B' ' 304' ' ' ARG . 34.1 m170 -67.45 -25.56 65.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -5.5 42.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -133.71 83.07 2.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -52.77 -18.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.548 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.83 -30.83 71.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.619 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.653 ' ND2' ' CE2' ' B' ' 307' ' ' PHE . 16.5 t30 -81.27 -150.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . 0.56 ' H ' ' ND2' ' B' ' 313' ' ' ASN . 12.8 mp0 -107.0 122.8 47.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -49.82 -82.54 0.04 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -72.79 -87.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.816 2.344 . . . . 0.0 112.141 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' B' ' 318' ' ' ALA . 2.5 t30 -175.52 21.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.533 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' B' ' 317' ' ' ASN . . . 38.08 76.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.75 123.95 83.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -72.8 -178.54 3.53 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.823 2.349 . . . . 0.0 112.065 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -75.09 -42.1 57.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.664 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 38.0 ttt180 -144.75 131.8 20.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.5 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.719 ' CE2' ' CB ' ' B' ' 184' ' ' GLU . 0.6 OUTLIER -179.1 160.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.561 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . 0.76 ' CG2' ' O ' ' B' ' 184' ' ' GLU . 1.3 tt -111.52 147.01 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 22.9 tp -84.44 133.74 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.56 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 2.1 t -134.24 92.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -122.87 154.49 38.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.613 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 27.4 p-10 -61.93 -25.31 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.551 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.491 ' OE2' ' OG ' ' B' ' 331' ' ' SER . 2.8 pp20? -153.27 124.86 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.558 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.11 121.34 11.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 331' ' ' SER . . . . . 0.491 ' OG ' ' OE2' ' B' ' 329' ' ' GLU . 2.5 m -120.28 128.58 53.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.7 82.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 10.1 p -62.77 -37.2 85.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.503 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 98.4 m -59.95 -51.34 70.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.513 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' B' ' 337' ' ' GLU . 3.0 tp -61.52 -30.84 70.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.548 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . 0.713 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -70.21 7.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.524 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' B' ' 335' ' ' LEU . 3.5 mm-40 -105.67 -30.5 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.45 121.66 33.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.36 149.43 4.21 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.848 2.366 . . . . 0.0 112.178 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -65.1 -21.5 66.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.541 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.1 -42.76 99.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.633 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -76.7 -23.38 53.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 25.1 tp -73.53 113.69 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.541 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 39.5 t -120.43 -0.65 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -178.52 166.25 36.0 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -146.8 142.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.339 . . . . 0.0 110.554 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 7.0 t -153.63 131.6 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 1.4 m -133.32 158.31 42.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.601 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 -89.99 -36.52 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' B' ' 351' ' ' GLY . 61.9 t0 -62.43 137.1 58.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.651 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . 0.413 ' N ' ' OD1' ' B' ' 350' ' ' ASP . . . -89.23 50.32 3.61 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -109.5 110.59 21.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.718 0.294 . . . . 0.0 110.589 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -109.51 3.06 20.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -99.82 3.63 44.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.94 147.48 46.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -53.43 -38.85 63.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.548 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.22 86.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.02 -41.47 78.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.06 -26.69 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 2.7 ttm -67.12 -50.91 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . 0.418 HG23 ' N ' ' B' ' 362' ' ' ARG . 28.2 m -63.39 -42.37 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.418 ' N ' HG23 ' B' ' 361' ' ' VAL . 4.9 ttm-85 -61.27 -46.24 91.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.68 66.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.541 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.71 -28.24 67.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.53 17.44 39.1 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . 0.751 ' CG2' ' HD2' ' B' ' 367' ' ' PRO . 68.3 mt -98.89 145.45 29.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.943 0.401 . . . . 0.0 110.518 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . 0.751 ' HD2' ' CG2' ' B' ' 366' ' ' ILE . 49.5 Cg_endo -72.84 128.16 12.99 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.892 2.395 . . . . 0.0 112.026 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 368' ' ' THR . . . . . 0.513 ' H ' ' HB1' ' B' ' 177' ' ' ALA . 99.6 m -140.0 151.26 45.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.503 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.08 151.1 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.437 ' O ' ' HB3' ' B' ' 173' ' ' ALA . 59.6 mtt -133.82 164.33 27.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 91.55 2.61 69.9 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -57.04 108.86 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.607 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.15 60.34 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 17.0 tt -148.59 138.07 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.579 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.57 ' N ' ' OE1' ' B' ' 375' ' ' GLN . 0.7 OUTLIER -66.11 135.12 95.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.576 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.93 -24.49 17.53 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.768 2.312 . . . . 0.0 112.07 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 59.7 p -66.53 -21.71 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 4.9 t -100.83 16.59 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.554 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.567 ' HA ' ' HB2' ' B' ' 382' ' ' ARG . 86.5 mt -121.64 2.25 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.682 ' O ' ' O ' ' B' ' 185' ' ' GLY . 48.2 t60 -36.44 -93.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.583 ' H ' ' HD3' ' B' ' 381' ' ' ARG . 0.0 OUTLIER -78.96 -13.83 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . 0.567 ' HB2' ' HA ' ' B' ' 379' ' ' LEU . 0.4 OUTLIER -52.86 140.91 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.608 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 39.3 m -69.96 130.21 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.588 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.3 122.9 48.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . 0.534 ' CD1' ' HD2' ' B' ' 397' ' ' PRO . 18.5 mt -124.55 105.11 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 6.1 m -108.85 155.91 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.539 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.4 t0 -145.29 93.71 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -58.19 -37.05 85.3 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . 0.435 ' HB2' ' OD1' ' B' ' 387' ' ' ASP . 12.2 m-85 -55.6 -48.15 75.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.512 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . 0.509 ' NH1' ' CD2' ' B' ' 405' ' ' TYR . 91.5 mtt180 -95.01 -14.74 24.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.594 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 58.22 59.34 10.98 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.52 164.81 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 0.0 110.713 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 170' ' ' ARG . 21.2 tp -124.09 126.19 45.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.607 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.702 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 4.7 mt -116.16 159.64 21.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.643 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.675 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 28.9 m -132.43 117.59 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.575 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.569 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.0 OUTLIER 25.82 51.96 0.27 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.547 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.702 ' HG3' ' HB3' ' B' ' 394' ' ' LEU . 48.8 Cg_endo -72.3 163.43 38.67 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.865 2.377 . . . . 0.0 112.138 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . 0.528 ' C ' ' H ' ' B' ' 400' ' ' VAL . 57.5 tt0 -49.72 101.94 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . 0.605 ' HD3' ' O ' ' B' ' 397' ' ' PRO . 51.7 Cg_exo -48.13 -8.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.848 2.365 . . . . 0.0 112.096 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . 0.528 ' H ' ' C ' ' B' ' 398' ' ' GLU . 79.4 t -72.21 -51.31 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.619 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . 0.457 ' N ' HD11 ' B' ' 401' ' ' LEU . 6.9 mp -63.53 -44.18 94.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.77 -36.16 80.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -65.18 -49.61 69.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -66.86 -43.3 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.565 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . 0.509 ' CD2' ' NH1' ' B' ' 390' ' ' ARG . 1.2 m-85 -51.32 -43.5 61.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -66.51 -33.75 76.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.626 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.476 ' HA ' ' HG ' ' B' ' 410' ' ' SER . 5.5 tmm_? -78.84 -32.87 46.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 68.0 mt -69.53 -41.59 75.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . 0.525 HG23 ' N ' ' B' ' 410' ' ' SER . 2.8 tp -69.69 -35.59 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 410' ' ' SER . . . . . 0.525 ' N ' HG23 ' B' ' 409' ' ' ILE . 89.0 p -63.58 -39.86 95.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.471 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -102.82 -72.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . 0.76 ' O ' ' O ' ' B' ' 413' ' ' ILE . 1.4 mt-10 -77.7 59.41 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 1.061 HG22 ' H ' ' B' ' 414' ' ' GLU . 0.3 OUTLIER -47.48 -136.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.549 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 1.061 ' H ' HG22 ' B' ' 413' ' ' ILE . 2.8 mm-40 -134.09 -162.23 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.554 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . 0.403 ' H ' ' HB3' ' B' ' 414' ' ' GLU . 0.1 OUTLIER -108.22 -17.86 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 11.0 t -70.29 -82.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.473 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -96.97 68.11 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . 0.495 ' CD2' ' H ' ' B' ' 418' ' ' LEU . 0.0 OUTLIER -40.5 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.57 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -160.64 -127.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.611 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -101.04 -20.98 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -104.42 171.94 7.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -120.25 83.74 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' B' ' 424' ' ' ASN . 2.1 p -172.14 107.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.58 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' B' ' 423' ' ' VAL . 16.5 t30 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.622 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.7 p -83.15 159.32 22.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.601 ' O ' HD11 ' A' ' 76' ' ' LEU . 85.4 t -133.55 118.06 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.534 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -124.99 172.96 8.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.718 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -160.57 134.74 7.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.0 t -81.64 126.86 32.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.652 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.9 m -128.24 125.7 64.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -82.31 126.5 32.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.59 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.776 HG21 ' H ' ' A' ' 60' ' ' GLY . 19.9 tt -89.28 104.61 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.767 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.2 p -81.75 53.9 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.527 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.24 23.93 12.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -163.65 99.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.98 ' HA ' ' CZ ' ' A' ' 83' ' ' PHE . 2.3 tt -62.38 -7.65 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.75 -42.47 1.02 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.8 tpp -170.55 -172.2 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.727 0.299 . . . . 0.0 110.572 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.417 ' ND1' ' OH ' ' B' ' 290' ' ' TYR . 1.1 t60 -50.81 -48.81 59.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.76 0.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.489 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.509 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 1.2 mpt_? -50.72 -56.88 15.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 18' ' ' ARG . 53.7 Cg_exo -47.15 -53.38 6.43 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.771 2.314 . . . . 0.0 112.165 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.49 96.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.412 ' HA ' ' HE2' ' A' ' 21' ' ' MET . 0.6 OUTLIER -66.36 -42.48 87.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.443 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -62.95 -37.37 86.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD11 ' O ' ' A' ' 19' ' ' PRO . 1.7 mp -49.39 -44.93 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.449 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE2' ' NE2' ' B' ' 247' ' ' HIS . 0.2 OUTLIER -57.01 -40.47 76.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -72.78 -35.19 67.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.49 -44.37 82.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.604 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -55.12 -31.67 61.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.428 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.604 ' N ' ' HG3' ' A' ' 27' ' ' MET . 24.9 mt-30 -81.97 -30.31 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.39 -30.24 31.01 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.91 152.76 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 110.554 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.77 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -95.49 94.84 8.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.602 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.534 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 167.84 156.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.601 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -101.52 129.32 47.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.409 ' O ' HD22 ' A' ' 35' ' ' LEU . 79.7 t -106.77 133.86 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.544 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 34' ' ' VAL . 63.4 mt -134.38 139.32 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.534 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.4 mt -109.45 149.48 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.584 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.846 ' O ' HG22 ' A' ' 63' ' ' ILE . 12.0 mtt-85 -145.84 136.79 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.654 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -94.28 154.61 17.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.24 -28.37 11.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.522 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -67.97 -11.31 58.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.69 11.25 59.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -84.02 117.4 23.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.758 0.313 . . . . 0.0 110.591 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.494 ' HG2' HH21 ' A' ' 37' ' ' ARG . 3.6 tm-20 -78.11 103.73 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.76 64.98 6.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 2.8 mt-10 -40.39 121.21 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -10.03 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.75 27.94 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.629 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -145.84 123.5 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.7 ' O ' HD11 ' A' ' 53' ' ' LEU . 4.1 t -63.72 -36.25 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.491 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 tt -61.25 -35.98 69.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.93 86.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.575 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.46 -38.51 77.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.7 HD11 ' O ' ' A' ' 49' ' ' VAL . 9.3 mp -65.04 -35.73 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -36.68 78.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.593 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.16 -35.13 79.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.547 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -53.1 -34.78 58.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.475 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.0 -5.89 50.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.693 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -83.76 29.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.581 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -69.66 97.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.776 ' H ' HG21 ' A' ' 9' ' ' ILE . . . 105.6 6.02 38.66 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.736 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -107.08 163.99 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.729 0.3 . . . . 0.0 110.555 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -95.89 144.85 25.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.67 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.846 HG22 ' O ' ' A' ' 37' ' ' ARG . 2.4 mp -131.73 160.11 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.836 ' N ' HG22 ' A' ' 63' ' ' ILE . 99.9 mt-10 -122.75 100.64 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 35.9 t -81.5 128.13 38.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.489 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.629 ' CD ' HH11 ' A' ' 37' ' ' ARG . 30.5 tt0 -120.93 140.54 51.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.608 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.75 130.68 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 6.0 t -121.27 140.32 52.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.534 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 133.8 -177.66 18.91 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.77 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.5 Cg_endo -71.53 -37.82 5.11 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.812 2.341 . . . . 0.0 112.134 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 72' ' ' GLU . 6.1 mm100 -97.68 4.16 50.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 71' ' ' GLN . 20.6 pt-20 -36.85 -40.34 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.72 -50.47 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.554 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 71' ' ' GLN . 26.3 tp10 -57.78 -51.71 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.552 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.54 -49.62 72.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.601 HD11 ' O ' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -64.79 -44.05 91.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.522 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.2 99.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.43 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.7 98.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.2 t -65.96 -43.34 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.47 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.443 HG22 HD13 ' A' ' 80' ' ' ILE . 36.6 mt -63.97 -42.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.385 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.22 -37.89 87.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.301 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.06 -35.02 66.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.378 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.98 ' CZ ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -71.94 -30.13 65.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.453 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 85' ' ' SER . 98.3 m-20 -85.83 -3.43 58.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.9 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.51 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 5.3 ptm85 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 81.1 mt -98.4 124.07 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -77.05 112.81 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -120.61 157.21 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.585 ' CD2' ' N ' ' B' ' 174' ' ' LEU . 3.2 mm? -67.69 112.76 11.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -73.3 108.09 2.53 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.765 2.31 . . . . 0.0 112.202 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . 0.474 ' O ' ' HD3' ' B' ' 362' ' ' ARG . . . -83.41 -51.26 7.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -125.11 136.63 28.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.454 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.19 144.24 41.45 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.834 2.356 . . . . 0.0 112.129 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 135.32 167.34 11.31 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 33.2 m -128.88 148.99 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.946 0.403 . . . . 0.0 110.493 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -156.58 153.24 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 25.2 pt -130.77 135.05 61.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.565 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 179.71 176.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . 0.561 ' O ' HG12 ' B' ' 324' ' ' ILE . 4.3 pt-20 -82.79 165.79 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.616 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.625 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.3 138.94 14.18 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . 0.516 ' CD1' ' NE1' ' B' ' 319' ' ' TRP . 40.7 t90 -146.71 135.42 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.577 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -98.66 150.53 21.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -66.62 166.87 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.536 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -86.7 54.2 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 92.4 m -111.64 128.11 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.68 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' B' ' 193' ' ' LEU . 29.2 mt -120.86 150.41 52.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.746 ' O ' ' N ' ' B' ' 194' ' ' MET . 52.5 Cg_exo -47.62 77.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.88 2.387 . . . . 0.0 112.092 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . 0.911 ' H ' ' CD1' ' B' ' 193' ' ' LEU . 0.0 OUTLIER -43.25 -5.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 194' ' ' MET . . . . . 0.746 ' N ' ' O ' ' B' ' 192' ' ' PRO . 10.2 mtp -67.17 -39.23 86.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.661 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.95 -7.17 51.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.631 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -87.64 20.51 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' B' ' 197' ' ' VAL . 11.3 p -108.62 99.35 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.594 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -128.91 177.19 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -136.56 128.3 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -144.49 150.34 37.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 74.8 m -108.65 90.48 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' THR . . . . . 0.563 ' O ' ' OD2' ' B' ' 204' ' ' ASP . 0.0 OUTLIER -151.82 86.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.752 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 1.2 pp -56.65 129.84 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.984 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 1.1 m-20 -155.84 67.71 4.83 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.423 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 39.0 Cg_endo -70.26 -46.62 0.96 Allowed 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.842 2.361 . . . . 0.0 112.21 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -60.34 -49.25 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 56.2 mt -79.28 -40.15 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.442 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.984 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 5.3 tp10 -67.86 -56.8 7.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . 0.556 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 53.3 ttt85 -45.37 -49.11 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . 0.419 ' O ' ' OE1' ' B' ' 210' ' ' GLU . 0.1 OUTLIER -70.91 -36.46 72.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.373 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.607 HH12 ' CD ' ' B' ' 269' ' ' GLU . 9.8 ttt-85 -57.48 -47.1 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.395 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' B' ' 212' ' ' LEU . 3.5 tm? -67.98 -52.14 39.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.41 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' THR . . . . . 0.445 ' O ' ' OE1' ' B' ' 217' ' ' GLU . 85.8 m -55.68 -51.96 65.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.501 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -57.58 -37.76 84.34 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . 0.413 ' CB ' HD12 ' B' ' 309' ' ' LEU . . . -70.35 -46.09 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 110.422 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.793 ' HG ' ' N ' ' B' ' 217' ' ' GLU . 0.2 OUTLIER -60.49 -48.04 83.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.396 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.793 ' N ' ' HG ' ' B' ' 216' ' ' LEU . 0.4 OUTLIER -60.72 -37.02 80.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.353 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . 0.567 ' CD ' HD22 ' B' ' 313' ' ' ASN . 41.1 tt0 -69.76 -33.45 72.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.463 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -87.74 -45.7 10.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -55.68 -51.56 66.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.504 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 87.7 m-20 -63.18 -35.54 80.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.455 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' B' ' 226' ' ' TYR . 1.1 tt0 -70.96 -35.89 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.604 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . 0.658 ' CD1' ' NH1' ' B' ' 304' ' ' ARG . 0.7 OUTLIER -76.08 -41.91 49.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.426 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . 0.451 HH21 ' HD2' ' B' ' 224' ' ' ARG . 4.5 ttm105 -52.13 -54.94 24.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.518 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . 0.405 ' NH1' ' HG3' ' B' ' 222' ' ' GLU . 1.6 ptt180 -68.17 -24.29 64.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.519 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' B' ' 222' ' ' GLU . 0.1 OUTLIER -66.61 -55.77 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.446 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 227' ' ' SER . . . . . 0.665 ' OG ' ' HB3' ' B' ' 242' ' ' PHE . 75.0 m -57.08 -50.21 73.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.446 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -51.08 -41.38 59.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -71.81 -34.67 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.437 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -68.86 -42.28 77.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.45 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -58.73 -37.45 76.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.92 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -116.09 20.36 12.89 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -135.85 -136.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.877 0.37 . . . . 0.0 110.587 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.545 ' O ' ' OG1' ' B' ' 238' ' ' THR . 19.1 pm0 -129.22 169.5 14.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -26.19 68.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.94 -41.58 92.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.545 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 1.8 p -63.66 -59.37 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.639 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . 0.447 ' H ' ' HG1' ' B' ' 238' ' ' THR . . . -51.05 -45.55 61.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.91 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 6.8 mm -66.62 -59.76 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.665 ' HB3' ' OG ' ' B' ' 227' ' ' SER . 33.5 m-85 -58.26 -60.43 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' B' ' 242' ' ' PHE . 64.7 t0 -34.35 -41.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.538 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . 0.661 ' C ' ' CD2' ' B' ' 244' ' ' LEU . 1.3 tt -69.94 -40.04 75.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.559 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.61 ' N ' ' O ' ' B' ' 242' ' ' PHE . 0.9 OUTLIER -68.74 -43.29 76.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.469 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 73.1 m -49.47 -45.09 46.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.521 ' NE2' ' CE2' ' A' ' 24' ' ' PHE . 13.0 t60 -70.22 -22.21 62.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' B' ' 245' ' ' TYR . 8.3 tt -69.55 -47.91 62.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.592 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.34 -44.19 84.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 88.1 p -75.2 -12.11 60.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.474 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.515 ' C ' ' H ' ' B' ' 253' ' ' ARG . 61.1 t0 -55.94 121.21 8.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.483 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 62.1 p -58.55 -2.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.715 ' HE ' ' N ' ' B' ' 254' ' ' LEU . 1.5 tmm_? -80.79 -47.23 14.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . 0.715 ' N ' ' HE ' ' B' ' 253' ' ' ARG . 12.0 tp -69.01 -37.29 78.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.423 HH12 ' NH2' ' B' ' 209' ' ' ARG . 3.3 ttp85 -68.07 -44.94 75.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.654 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.44 -47.69 78.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.792 ' OE2' ' CE1' ' B' ' 279' ' ' PHE . 3.4 tt0 -57.01 -52.06 66.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' B' ' 258' ' ' LEU . 3.1 tm? -53.85 -58.25 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -53.87 -33.73 57.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.0 93.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.629 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -43.41 92.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.06 -36.95 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.446 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.09 -12.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.489 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -99.36 -19.82 16.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 123.92 10.12 5.41 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 46.4 m -83.15 154.98 24.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.615 0.245 . . . . 0.0 110.632 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.629 ' O ' ' CB ' ' B' ' 271' ' ' ALA . 3.1 t -97.92 148.14 6.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' B' ' 272' ' ' VAL . . . -54.1 -51.59 63.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.607 ' CD ' HH12 ' B' ' 211' ' ' ARG . 1.9 mm-40 -40.06 -67.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.664 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . 0.689 ' CZ2' ' OG1' ' B' ' 274' ' ' THR . 5.2 t-105 -73.82 -42.94 60.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.629 ' CB ' ' O ' ' B' ' 267' ' ' VAL . . . -54.28 -53.91 47.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.556 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' B' ' 268' ' ' ALA . 53.4 t -56.21 -33.7 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . 0.614 ' NZ ' ' O ' ' B' ' 193' ' ' LEU . 0.0 OUTLIER -72.84 -30.53 64.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.506 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 274' ' ' THR . . . . . 0.689 ' OG1' ' CZ2' ' B' ' 270' ' ' TRP . 15.0 m -72.57 -57.32 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.656 HG13 ' H ' ' B' ' 276' ' ' ILE . 5.5 p -48.28 -60.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.601 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.656 ' H ' HG13 ' B' ' 275' ' ' VAL . 1.9 pp -53.79 -38.04 34.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' B' ' 281' ' ' GLU . 2.5 mm-40 -71.15 -36.6 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.499 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . 0.439 ' HZ3' ' HB3' ' B' ' 278' ' ' LYS . 3.2 mtmp? -66.34 -38.35 87.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . 0.792 ' CE1' ' OE2' ' B' ' 257' ' ' GLU . 20.7 m-85 -74.17 -27.87 61.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.574 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.76 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.519 ' OE2' ' O ' ' B' ' 277' ' ' GLU . 0.4 OUTLIER -77.93 -39.47 42.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -60.17 -47.36 86.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.446 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 5.9 m-30 -60.82 -49.12 78.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.627 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -57.87 -49.38 76.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.562 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -29.4 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.621 ' CD1' ' N ' ' B' ' 286' ' ' LEU . 6.1 mp -64.92 165.16 11.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 287' ' ' SER . . . . . 0.428 ' HG ' ' N ' ' B' ' 288' ' ' ASP . 71.8 p -95.8 -37.29 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.584 ' HB3' ' CD2' ' B' ' 291' ' ' LEU . 0.9 OUTLIER -48.28 134.72 14.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.533 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -84.31 -31.25 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.588 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . 0.417 ' OH ' ' ND1' ' A' ' 16' ' ' HIS . 1.0 OUTLIER -49.77 -32.86 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.615 ' HG ' ' H ' ' B' ' 292' ' ' LYS . 3.2 pp -94.37 -47.63 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.519 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.615 ' H ' ' HG ' ' B' ' 291' ' ' LEU . 0.5 OUTLIER -40.72 -41.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -71.17 -40.83 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.446 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.611 HH11 ' CD2' ' B' ' 244' ' ' LEU . 37.9 tpt85 -51.57 -31.05 23.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.508 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -52.62 -44.16 65.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.47 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -45.71 -43.13 11.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.52 -37.73 87.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.401 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 10.8 tp -56.95 -56.88 15.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -55.05 -44.49 74.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.37 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.3 79.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.323 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . 0.708 ' HG ' ' N ' ' B' ' 302' ' ' GLY . 0.2 OUTLIER -58.63 -39.42 80.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.279 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . 0.708 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -61.57 -43.12 99.71 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.81 -37.39 81.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 110.294 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.658 ' NH1' ' CD1' ' B' ' 223' ' ' PHE . 0.9 OUTLIER -72.68 -39.18 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.268 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' B' ' 309' ' ' LEU . 0.7 OUTLIER -68.17 -43.29 78.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.309 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.22 -39.34 94.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.361 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.59 -47.32 81.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.449 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -75.23 -16.75 60.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 0.4 OUTLIER -72.8 -18.21 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' B' ' 312' ' ' ALA . 1.1 m-20 -103.37 127.36 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' B' ' 310' ' ' ASP . 6.9 m-20 -39.5 -20.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' B' ' 310' ' ' ASP . . . -60.67 -45.04 95.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.543 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.707 ' O ' ' O ' ' B' ' 314' ' ' GLN . 1.5 t-20 45.42 -155.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.689 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . 0.707 ' O ' ' O ' ' B' ' 313' ' ' ASN . 0.7 OUTLIER -29.16 160.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.521 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . 0.643 ' O ' ' ND2' ' B' ' 317' ' ' ASN . . . -144.85 171.95 25.89 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' B' ' 317' ' ' ASN . 51.9 Cg_exo -47.93 -5.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 122.833 2.355 . . . . 0.0 112.178 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . 0.643 ' ND2' ' O ' ' B' ' 315' ' ' GLY . 0.3 OUTLIER -46.57 175.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . 68.26 86.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.679 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 1.028 ' HB3' ' HD2' ' B' ' 320' ' ' PRO . 94.2 m95 -76.42 -177.78 0.81 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.463 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . 1.028 ' HD2' ' HB3' ' B' ' 319' ' ' TRP . 53.7 Cg_exo -47.1 166.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.835 2.357 . . . . 0.0 112.03 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 11.1 pm0 -58.86 11.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.54 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.724 ' H ' ' C ' ' B' ' 320' ' ' PRO . 7.9 mtm105 -132.46 108.71 9.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.659 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' B' ' 324' ' ' ILE . 0.2 OUTLIER -179.93 159.14 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.77 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . 0.561 HG12 ' O ' ' B' ' 184' ' ' GLU . 5.0 pt -126.52 148.31 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.423 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.433 ' CD1' HD22 ' B' ' 338' ' ' LEU . 0.8 OUTLIER -93.33 135.48 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.747 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . 0.484 HG13 ' O ' ' B' ' 326' ' ' VAL . 4.0 p -131.0 90.36 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.533 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -121.24 157.2 30.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.562 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -64.47 -34.71 78.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.545 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -142.53 119.73 11.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.88 116.16 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 85.9 p -114.05 133.12 55.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.512 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.65 -37.5 63.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.586 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 96.1 m -56.78 -46.73 81.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 97.6 m -57.27 -50.27 73.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.627 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.589 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.2 OUTLIER -54.05 -45.58 71.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.506 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -66.1 9.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.589 ' H ' ' C ' ' B' ' 335' ' ' LEU . 21.2 tt0 -110.32 -32.98 6.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' B' ' 325' ' ' LEU . 1.2 pp -112.74 133.74 21.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.91 135.72 43.49 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.821 2.347 . . . . 0.0 112.065 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' B' ' 340' ' ' GLN . 32.1 tp60 -73.85 -10.99 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -71.56 -39.65 70.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.523 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -82.84 -11.13 58.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 41.3 tp -83.11 102.78 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.476 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -119.06 24.75 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 165.42 153.29 7.52 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.04 149.33 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 0.0 110.501 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 87.3 t -137.07 124.94 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . . . . . . . . . 3.6 t -115.56 148.61 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . 0.769 HH11 ' N ' ' B' ' 374' ' ' ILE . 15.3 ttm180 -115.92 -47.38 2.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.563 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' B' ' 350' ' ' ASP . 59.6 t0 -107.91 -33.66 7.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -39.05 146.61 0.17 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -97.59 156.32 16.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 110.651 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.88 -37.5 76.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' B' ' 355' ' ' SER . 48.1 p-10 -67.67 -13.67 62.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 355' ' ' SER . . . . . 0.445 ' N ' ' OD1' ' B' ' 354' ' ' ASN . 52.9 m -54.45 134.96 46.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 19.5 pt20 -55.49 -40.31 71.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.588 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' B' ' 356' ' ' GLN . . . -59.85 -48.74 80.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -58.81 -40.28 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.625 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.442 HD12 HH11 ' B' ' 362' ' ' ARG . 11.0 mm -71.53 -33.15 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -62.11 -51.15 69.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 25.5 m -66.41 -43.58 91.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.501 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.474 ' HD3' ' O ' ' B' ' 176' ' ' ALA . 14.6 ttp180 -60.26 -44.52 95.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.27 -22.19 62.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.23 -24.9 60.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 95.6 26.47 11.86 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 1.5 mp -109.97 128.99 24.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.614 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.85 128.88 16.83 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.855 2.37 . . . . 0.0 112.102 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 47.0 m -143.61 138.62 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 28.7 m -136.74 148.42 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.566 ' O ' ' N ' ' B' ' 174' ' ' LEU . 0.1 OUTLIER -129.13 163.61 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.93 -4.33 59.07 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -53.36 111.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.55 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . 0.589 ' C ' HH11 ' B' ' 349' ' ' ARG . 6.2 p30 -110.81 62.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . 0.834 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 3.9 tp -137.58 135.48 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -64.77 101.98 0.3 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . 0.834 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 52.6 Cg_exo -50.27 -24.01 10.91 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.746 2.297 . . . . 0.0 112.136 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 49.1 m -58.75 -39.89 82.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.78 -32.31 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.729 ' O ' ' N ' ' B' ' 381' ' ' ARG . 1.3 mm? -84.18 -47.98 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.642 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.625 ' O ' ' O ' ' B' ' 185' ' ' GLY . 61.3 t-80 52.93 -69.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.589 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.729 ' N ' ' O ' ' B' ' 379' ' ' LEU . 8.8 mtm105 -146.56 25.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.582 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -72.72 174.26 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 60.2 m -79.35 122.24 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 3.4 mp -131.11 117.32 18.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.618 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -108.15 122.85 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.576 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 17.2 m -102.27 153.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.558 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.641 ' O ' ' N ' ' B' ' 391' ' ' GLY . 38.5 t0 -136.08 79.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.572 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.7 -44.98 30.73 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -45.61 -53.31 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.506 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.14 8.02 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.604 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.641 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 45.71 53.49 8.51 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -118.3 153.54 33.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 1.3 tt -130.67 118.0 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -102.07 143.46 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.615 ' O ' ' C ' ' B' ' 396' ' ' ASP . 28.3 m -119.38 115.52 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.559 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.615 ' C ' ' O ' ' B' ' 395' ' ' VAL . 20.5 p-10 20.39 56.9 0.22 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.594 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 55.6 Cg_endo -73.97 165.52 31.87 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.79 2.327 . . . . 0.0 112.162 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -42.82 142.91 1.3 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.89 -34.32 8.82 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.83 2.354 . . . . 0.0 112.171 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 54.9 t -78.98 -46.74 23.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.75 -41.72 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 8.9 tt -74.52 -22.33 59.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.49 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -69.79 -44.82 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.705 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' B' ' 408' ' ' LEU . 50.4 mm-40 -74.0 -36.67 64.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.56 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -48.99 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -65.9 -38.28 88.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -73.07 -30.95 64.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' B' ' 404' ' ' GLU . 9.8 tp -66.6 -44.43 82.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.6 -41.34 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 91.6 p -74.28 -16.85 60.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -56.03 -85.28 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.588 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.82 2.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . . . . . . . . . 26.5 mm -83.21 42.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.464 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -92.16 65.82 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 1.3 mp -85.94 2.48 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 30.1 p -107.05 60.47 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.662 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . 0.485 HH21 ' HD2' ' B' ' 417' ' ' ARG . 41.7 mtm105 -60.46 -76.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.03 -75.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.631 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -115.35 -127.23 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -100.09 19.08 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -43.76 107.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.578 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -87.49 -82.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 25.0 m -134.3 141.53 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -84.94 159.01 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -133.14 119.68 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 60.7 pttt -126.84 172.85 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.59 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.706 ' NE2' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -161.88 133.98 5.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.6 m -80.04 127.76 32.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.454 ' H ' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -128.71 124.35 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.461 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -80.71 126.4 31.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.5 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.7 mt -89.64 105.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.696 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.6 OUTLIER -84.4 61.08 6.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 59.86 25.21 14.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.645 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.58 102.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.5 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 0.4 OUTLIER -66.32 -4.59 8.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.587 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.52 ' O ' ' O ' ' A' ' 15' ' ' MET . . . 147.75 124.32 1.46 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.803 ' O ' ' N ' ' A' ' 17' ' ' ALA . 6.7 mtt -29.8 149.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -52.39 63.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.803 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -110.11 -3.62 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.779 ' N ' ' HD3' ' A' ' 19' ' ' PRO . 3.1 mtp180 78.82 36.47 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.517 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.779 ' HD3' ' N ' ' A' ' 18' ' ' ARG . 60.1 Cg_exo -46.8 -55.69 3.63 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.822 2.348 . . . . 0.0 112.025 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.31 -47.45 81.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.522 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.4 -42.72 95.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.28 -38.27 86.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.518 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.9 -46.78 52.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.389 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -55.68 -40.25 72.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -71.96 -36.47 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.51 -42.14 87.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 38.4 ttm -55.54 -31.11 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.484 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -33.19 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.63 -33.56 34.05 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -103.53 155.67 18.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.611 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.62 92.68 5.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.753 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 170.88 157.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -102.3 126.76 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.13 134.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mp -135.84 139.25 43.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.505 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -109.08 149.72 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.581 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -148.08 133.4 18.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.97 157.87 17.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD2' ' OE1' ' A' ' 62' ' ' GLN . 54.7 t0 -53.86 -28.5 36.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 47.9 mt-10 -66.95 -11.14 55.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.64 11.28 59.46 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 p -83.99 116.74 22.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.903 0.382 . . . . 0.0 110.486 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.77 102.61 7.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.97 66.43 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.564 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -41.45 121.55 1.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.528 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -10.21 12.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -100.22 29.23 4.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.74 122.9 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.35 -35.74 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 tt -61.64 -36.76 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.605 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.39 -42.07 88.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.713 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -58.79 -37.85 77.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.6 -36.54 84.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.428 ' O ' ' OG ' ' A' ' 57' ' ' SER . 22.4 mtm -67.61 -37.27 82.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.04 -36.06 80.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -52.69 -35.49 55.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 54' ' ' MET . 95.7 p -75.99 -6.56 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.47 29.67 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.605 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 97.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.62 5.8 38.83 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.543 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 85.4 mtt180 -106.21 165.78 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.718 0.294 . . . . 0.0 110.58 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.412 ' OE1' ' OD2' ' A' ' 39' ' ' ASP . 2.8 mp0 -99.07 143.05 29.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.547 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.3 pt -130.94 161.89 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.559 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mp0 -123.5 101.52 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 25.5 t -80.74 127.57 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -119.68 138.18 53.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.88 130.38 29.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.485 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.6 t -124.0 129.09 50.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.753 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 142.33 162.59 9.29 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -48.02 -44.88 26.77 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.798 2.332 . . . . 0.0 112.141 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLU . 1.1 mm100 -93.85 6.24 49.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.543 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.518 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 13.9 pt-20 -37.7 -37.79 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.538 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 3.2 pt-20 -64.26 -48.86 74.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.597 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.538 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 14.5 mm-40 -57.7 -51.09 70.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.41 -48.99 75.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.44 -45.0 89.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.66 99.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.454 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.62 98.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.36 -44.07 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.7 OUTLIER -63.29 -41.84 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.462 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.505 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.28 -36.55 84.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.426 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.4 mm? -72.71 -37.48 67.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.435 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 13' ' ' LEU . 4.1 m-85 -70.0 -31.91 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.702 ' O ' ' HB2' ' A' ' 85' ' ' SER . 5.8 m120 -82.31 -4.03 56.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.702 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 26.7 m . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 2.0 mp -131.94 140.95 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.563 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -91.56 108.6 20.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . 0.482 ' O ' ' O ' ' B' ' 391' ' ' GLY . . . -103.4 158.42 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.512 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.593 ' N ' ' O ' ' B' ' 370' ' ' MET . 49.0 mt -68.49 117.65 52.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.38 104.11 1.74 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.648 2.232 . . . . 0.0 112.217 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . 0.501 ' O ' ' NH2' ' B' ' 362' ' ' ARG . . . -82.14 -39.81 22.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.599 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . 0.557 ' O ' ' HA3' ' B' ' 388' ' ' GLY . . . -134.67 132.72 20.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.45 138.54 32.83 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.841 2.361 . . . . 0.0 112.106 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 139.06 168.92 11.41 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 76.5 t -121.52 137.53 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.509 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -141.67 142.17 33.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 7.6 tt -126.54 128.75 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 179.79 170.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.601 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . 0.619 ' O ' HG12 ' B' ' 324' ' ' ILE . 92.1 mt-10 -78.16 169.65 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.482 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.775 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -90.31 97.72 2.36 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -105.5 122.15 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.71 115.8 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.483 ' OD2' ' OE1' ' B' ' 337' ' ' GLU . 63.2 t0 -91.05 70.82 6.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.531 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -103.35 22.52 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.657 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 190' ' ' THR . . . . . 0.411 ' C ' ' O ' ' B' ' 189' ' ' ALA . 8.8 t -38.12 128.99 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.579 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.03 106.29 8.78 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.31 136.78 31.51 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.806 2.338 . . . . 0.0 112.052 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.46 -15.24 48.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.649 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 9.6 mmt -63.9 -6.14 5.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.633 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -107.35 -7.59 16.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . 0.443 ' OE1' ' N ' ' B' ' 196' ' ' GLN . 0.7 OUTLIER -103.41 -31.32 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.559 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . . . . . . . . . 11.1 p -126.06 140.07 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.574 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -77.31 177.45 7.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . 0.45 ' OE1' ' CE3' ' B' ' 270' ' ' TRP . 6.7 pt20 -137.54 170.38 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -55.98 -165.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 31.2 t -142.24 110.81 6.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.36 113.77 7.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.505 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.589 HD13 ' H ' ' B' ' 204' ' ' ASP . 11.0 tp -68.24 129.12 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.589 ' H ' HD13 ' B' ' 203' ' ' LEU . 73.9 m-20 -152.55 93.6 3.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.583 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . 0.511 ' O ' ' NE ' ' B' ' 209' ' ' ARG . 39.1 Cg_endo -70.32 -20.5 32.12 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.803 2.336 . . . . 0.0 112.111 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -79.57 -41.76 26.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' B' ' 211' ' ' ARG . 35.8 mt -85.93 -36.36 19.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.663 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 0.0 OUTLIER -65.43 -52.79 50.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.541 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' B' ' 205' ' ' PRO . 6.9 ptp180 -60.36 -41.19 93.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.477 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . 0.555 ' HB2' ' O ' ' B' ' 206' ' ' ALA . 3.4 mm-40 -75.62 -34.03 60.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.642 ' NH2' ' OE2' ' B' ' 269' ' ' GLU . 11.2 mtt180 -56.53 -52.62 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . 0.553 ' HB3' ' NH2' ' B' ' 255' ' ' ARG . 0.2 OUTLIER -71.33 -53.79 12.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.331 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 213' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' B' ' 255' ' ' ARG . 81.9 m -50.45 -53.0 32.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.26 -34.37 84.29 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.25 67.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.799 0.333 . . . . 0.0 110.398 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.744 ' O ' ' N ' ' B' ' 220' ' ' ALA . 2.1 tp -54.86 -50.17 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.447 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 71.9 mm-40 -49.76 -37.0 27.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.331 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -80.88 -32.01 35.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.73 -51.99 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.339 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.744 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.84 -51.54 67.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.396 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.6 ' O ' ' NE ' ' B' ' 225' ' ' ARG . 90.3 m-20 -64.32 -33.79 76.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.321 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.674 ' N ' HH11 ' B' ' 225' ' ' ARG . 3.6 tm-20 -70.74 -39.5 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.416 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . 0.437 ' CZ ' ' CD2' ' B' ' 301' ' ' LEU . 2.9 m-85 -64.65 -47.83 77.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.454 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . 0.407 ' HD2' HH21 ' B' ' 224' ' ' ARG . 14.3 mtm180 -60.96 -40.82 94.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . 0.674 HH11 ' N ' ' B' ' 222' ' ' GLU . 81.4 mtm180 -68.53 -30.99 69.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.436 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.7 ' OH ' ' O ' ' B' ' 336' ' ' ALA . 0.3 OUTLIER -63.44 -55.89 20.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 9.2 p -49.99 -44.38 50.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -60.87 -39.75 90.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . 0.464 ' NH1' ' CE1' ' B' ' 226' ' ' TYR . 31.5 ttp-105 -69.67 -39.6 76.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.63 -43.12 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.508 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.65 -36.48 67.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.07 71.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.526 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -93.27 26.76 13.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . 51.51 77.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.643 ' NE2' ' H ' ' B' ' 238' ' ' THR . 0.0 OUTLIER -143.15 92.63 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.98 -42.32 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.587 ' OE1' ' N ' ' B' ' 238' ' ' THR . 16.3 tm-20 -50.58 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.643 ' H ' ' NE2' ' B' ' 235' ' ' GLN . 3.0 p -46.85 -59.09 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . 0.443 ' H ' ' HG1' ' B' ' 238' ' ' THR . . . -48.63 -50.53 32.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.48 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.32 88.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . 0.407 HG23 ' N ' ' B' ' 242' ' ' PHE . 1.3 mp -68.07 -54.91 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.407 ' N ' HG23 ' B' ' 241' ' ' ILE . 11.3 m-85 -58.66 -53.86 53.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.572 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -43.5 -41.99 4.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.433 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.91 -38.76 79.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.483 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.522 ' OH ' ' HB2' ' B' ' 297' ' ' ASP . 10.6 m-85 -70.73 -42.27 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.18 -46.68 35.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.569 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.464 ' O ' ' ND1' ' B' ' 247' ' ' HIS . 0.0 OUTLIER -73.41 -26.55 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.557 ' CD2' ' C ' ' B' ' 248' ' ' LEU . 0.6 OUTLIER -69.99 -40.18 75.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . 0.437 ' N ' HD22 ' B' ' 248' ' ' LEU . 2.8 mt -72.13 -38.02 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 60.2 p -76.09 -17.8 59.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.721 ' OD1' ' N ' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -44.53 116.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 13.6 t -57.24 0.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.476 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.721 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 7.2 ttt180 -86.58 -40.84 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . 0.701 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 4.7 mp -77.46 -38.03 50.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.553 ' NH2' ' HB3' ' B' ' 212' ' ' LEU . 14.3 tpt180 -63.09 -50.94 68.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' B' ' 260' ' ' ALA . 20.6 tpp180 -60.34 -46.57 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.35 -50.76 58.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . 0.504 HD21 ' CD2' ' B' ' 212' ' ' LEU . 0.1 OUTLIER -54.44 -63.55 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.638 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . 0.577 ' O ' HG23 ' B' ' 262' ' ' VAL . 3.2 t80 -53.65 -25.61 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' B' ' 256' ' ' ARG . . . -72.72 -40.17 66.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.37 -49.43 77.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 259' ' ' PHE . 2.8 m -65.29 -34.4 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.597 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.29 -15.98 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -92.77 -17.13 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.36 20.38 2.44 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 266' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' B' ' 262' ' ' VAL . 6.2 m -103.57 157.08 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.548 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 8.2 t -91.1 141.68 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -54.57 -36.64 64.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.642 ' OE2' ' NH2' ' B' ' 211' ' ' ARG . 1.1 mp0 -54.47 -47.26 73.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . 0.45 ' CE3' ' OE1' ' B' ' 199' ' ' GLN . 1.1 m-90 -83.58 -31.8 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.619 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.458 ' O ' ' CG2' ' B' ' 275' ' ' VAL . . . -59.83 -49.4 77.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.639 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.44 -31.21 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . 0.756 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 38.1 ttpt -80.25 -44.88 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 274' ' ' THR . . . . . 0.465 ' O ' ' N ' ' B' ' 278' ' ' LYS . 97.1 m -64.39 -51.66 62.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.753 ' CG2' ' H ' ' B' ' 276' ' ' ILE . 21.4 m -58.24 -63.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.511 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.753 ' H ' ' CG2' ' B' ' 275' ' ' VAL . 7.2 tp -47.91 -41.42 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.622 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.756 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 0.4 OUTLIER -74.1 -40.59 62.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.528 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' B' ' 274' ' ' THR . 5.5 ttpm? -63.01 -35.13 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.591 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . 0.498 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 35.9 m-85 -82.92 -12.58 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . 0.44 ' O ' ' HB1' ' B' ' 284' ' ' ALA . . . -76.79 -44.81 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.629 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.476 ' CD ' ' O ' ' B' ' 277' ' ' GLU . 3.2 pm0 -85.72 -28.87 24.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . 0.413 ' NE2' ' CD2' ' B' ' 279' ' ' PHE . 3.2 mt-30 -53.52 -51.47 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.499 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.611 ' CD2' ' N ' ' B' ' 283' ' ' PHE . 0.7 OUTLIER -77.83 -42.99 31.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.603 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' B' ' 280' ' ' ALA . . . -41.25 -33.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -51.61 -17.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.7 172.82 9.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 89.4 p -108.61 -24.16 11.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -43.73 115.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -54.92 -53.07 60.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.26 -28.31 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.413 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.504 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -74.72 -56.62 4.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.499 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 291' ' ' LEU . 8.6 mmtp -38.54 -47.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.395 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.11 -46.21 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.316 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -39.33 87.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.218 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.98 85.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.269 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -53.2 -40.19 59.46 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . 0.522 ' HB2' ' OH ' ' B' ' 245' ' ' TYR . 0.2 OUTLIER -65.39 -38.11 89.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.242 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 4.2 mt -54.0 -50.96 65.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.315 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . 0.776 ' HG3' ' N ' ' B' ' 300' ' ' ALA . 0.1 OUTLIER -54.4 -37.34 64.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.225 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . 0.776 ' N ' ' HG3' ' B' ' 299' ' ' ARG . . . -67.9 -38.6 83.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.207 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . 0.446 ' C ' ' CD1' ' B' ' 301' ' ' LEU . 1.8 tm? -50.47 -42.93 55.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.267 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -64.71 -40.2 97.26 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -43.99 89.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.366 . . . . 0.0 110.248 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.484 ' O ' ' CD2' ' B' ' 308' ' ' HIS . 0.0 OUTLIER -71.64 -36.66 70.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.235 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -39.44 78.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . 0.613 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.5 OUTLIER -56.94 -40.32 76.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.383 179.738 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' B' ' 313' ' ' ASN . 0.1 OUTLIER -70.42 -41.61 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . 0.523 ' ND1' ' ND2' ' B' ' 313' ' ' ASN . 82.3 m-70 -66.39 -33.13 75.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.451 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 8.2 tp -61.59 -9.12 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.499 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.613 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 6.4 m-20 -107.12 115.19 29.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -51.85 -6.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.579 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.569 ' H ' ' C ' ' B' ' 310' ' ' ASP . . . -82.1 -12.46 58.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.699 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' B' ' 307' ' ' PHE . 57.6 t30 -80.05 124.93 29.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -84.91 -66.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 157.01 -74.26 0.22 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . 0.445 ' O ' ' O ' ' B' ' 317' ' ' ASN . 49.6 Cg_endo -72.72 -32.97 8.76 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.801 2.334 . . . . 0.0 112.095 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . 0.445 ' O ' ' O ' ' B' ' 316' ' ' PRO . 0.8 OUTLIER 59.59 137.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -76.34 84.42 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.617 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.862 ' HB3' ' HD2' ' B' ' 320' ' ' PRO . 77.2 m95 -71.63 171.14 9.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . 0.862 ' HD2' ' HB3' ' B' ' 319' ' ' TRP . 42.0 Cg_endo -71.29 -179.59 3.71 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.76 2.306 . . . . 0.0 112.103 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' B' ' 342' ' ' ARG . 50.0 mp0 -83.0 -60.24 2.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.596 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.893 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 84.2 mtt180 -147.94 137.54 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.528 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.893 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 27.9 m-85 -174.81 167.18 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . 0.619 HG12 ' O ' ' B' ' 184' ' ' GLU . 7.3 pt -101.39 147.11 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.577 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.97 110.72 17.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.2 97.99 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -134.52 149.13 50.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.484 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.83 -27.97 68.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -151.49 123.33 8.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.591 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 2.4 mt -57.93 131.59 50.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.619 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 4.1 m -130.78 123.59 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.568 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.03 -39.53 66.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.674 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 61.9 m -58.65 -43.31 89.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 60.7 m -60.7 -50.27 74.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 5.2 mp -49.73 -43.64 47.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . 0.7 ' O ' ' OH ' ' B' ' 226' ' ' TYR . . . -64.11 -24.82 67.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.483 ' OE1' ' OD2' ' B' ' 188' ' ' ASP . 28.9 tt0 -67.75 -35.92 79.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 7.3 mp -115.76 126.12 28.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -48.19 143.67 14.13 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.839 2.359 . . . . 0.0 112.112 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -67.39 -7.5 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.493 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.21 -38.84 42.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.629 ' HA ' ' HE ' ' B' ' 342' ' ' ARG . 9.2 mmp_? -78.72 -24.82 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -69.16 113.32 6.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 6.1 t -122.72 19.61 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.582 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 159.61 163.95 14.12 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 48.9 t -148.05 151.23 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.509 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.29 125.52 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.54 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . . . . . . . . . 89.2 t -109.18 148.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -86.18 -54.85 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.654 ' O ' ' N ' ' B' ' 352' ' ' ALA . 0.0 OUTLIER -135.99 -19.03 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . -53.54 74.34 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -34.36 157.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.51 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.93 -6.12 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' B' ' 352' ' ' ALA . 1.4 t-20 -54.02 -33.57 57.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.57 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 51.9 m -51.46 141.25 16.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -58.91 -37.72 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.624 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.87 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.54 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.564 HD12 HH11 ' B' ' 362' ' ' ARG . 38.4 mm -64.86 -31.68 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.65 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 37.8 tpp -86.39 -25.03 25.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . 0.622 ' CG1' ' N ' ' B' ' 362' ' ' ARG . 0.4 OUTLIER -65.85 -48.38 82.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.501 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.622 ' N ' ' CG1' ' B' ' 361' ' ' VAL . 3.7 ptp180 -68.51 -36.32 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.527 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.432 ' N ' ' CG ' ' B' ' 362' ' ' ARG . . . -68.45 -24.13 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 5.4 tp -79.72 -21.57 44.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.53 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 91.7 37.98 5.96 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 3.4 mm -118.81 117.39 33.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 110.567 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -47.93 135.01 23.58 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.817 2.345 . . . . 0.0 112.13 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 87.3 m -154.51 145.87 23.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.565 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . 0.445 ' C ' ' SD ' ' B' ' 370' ' ' MET . 27.4 m -135.15 154.57 36.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.593 ' O ' ' N ' ' B' ' 174' ' ' LEU . 1.2 mmm -132.53 163.87 27.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.672 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 95.21 -2.64 65.84 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.7 112.79 0.9 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.775 0.321 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.04 31.7 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . 0.543 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 5.8 tt -109.56 143.95 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.574 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 20.1 mp0 -71.39 109.8 6.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.602 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . 0.543 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 50.1 Cg_exo -48.74 -35.01 29.24 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.78 2.32 . . . . 0.0 112.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 60.6 m -53.08 -39.22 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 86.7 t -69.11 -36.87 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.693 ' O ' ' C ' ' B' ' 380' ' ' HIS . 55.9 mt -71.06 -27.2 63.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.775 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER -0.8 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.562 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.427 ' H ' ' HB3' ' B' ' 380' ' ' HIS . 2.7 ptp180 -93.07 -2.13 55.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . 0.809 HH22 ' CG ' ' B' ' 396' ' ' ASP . 1.3 ttp85 -63.95 159.03 20.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 383' ' ' THR . . . . . 0.551 ' O ' ' NH1' ' B' ' 382' ' ' ARG . 1.2 p -86.17 131.38 34.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 27.2 tp -140.62 117.85 11.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.506 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 63.9 mt -101.06 120.13 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 5.9 m -109.57 135.45 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.618 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.2 t0 -121.33 95.44 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . 0.557 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -53.24 -40.16 59.71 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -48.65 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.831 0.348 . . . . 0.0 110.523 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . 0.405 ' CZ ' ' OD2' ' B' ' 387' ' ' ASP . 91.1 mtm-85 -90.99 -7.54 51.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 47.94 62.21 4.33 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -152.4 167.38 28.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.34 125.46 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 2.5 mp -98.86 144.87 27.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.526 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.679 ' O ' ' C ' ' B' ' 396' ' ' ASP . 85.6 t -112.55 101.76 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.809 ' CG ' HH22 ' B' ' 382' ' ' ARG . 10.4 p-10 -7.75 77.54 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.657 ' N ' ' O ' ' B' ' 395' ' ' VAL . 47.4 Cg_endo -72.39 -144.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.787 2.325 . . . . 0.0 112.085 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . 0.507 ' H ' ' HB2' ' B' ' 397' ' ' PRO . 76.8 mm-40 -70.69 133.87 86.43 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.48 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -47.27 -29.6 9.7 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.853 2.369 . . . . 0.0 112.124 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 22.0 t -79.7 -47.37 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 42.8 mt -58.31 -48.38 80.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -34.69 78.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.484 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -64.07 -50.64 67.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.56 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' B' ' 407' ' ' ARG . 3.8 tp10 -68.26 -44.77 74.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 404' ' ' GLU . 0.2 OUTLIER -39.28 -48.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.565 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -37.03 85.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' B' ' 404' ' ' GLU . 11.7 mtm180 -73.7 -33.34 64.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.56 -46.69 81.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.96 -39.16 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 93.5 p -74.98 -17.52 60.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.576 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.87 -100.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . 1.127 ' O ' ' N ' ' B' ' 414' ' ' GLU . 63.9 tt0 -87.3 -93.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.678 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 0.607 ' C ' ' O ' ' B' ' 412' ' ' GLU . 2.7 mp -22.06 60.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.61 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 1.127 ' N ' ' O ' ' B' ' 412' ' ' GLU . 3.2 mm-40 -71.46 -153.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . 0.41 ' H ' ' HB3' ' B' ' 414' ' ' GLU . 1.1 mt -81.54 -62.16 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 13.5 t -98.52 55.49 1.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.501 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -121.8 30.04 6.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 84.6 mt 54.9 71.33 0.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.606 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -88.09 153.87 20.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -135.88 -73.5 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.648 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' B' ' 422' ' ' ASP . 64.5 t0 -170.13 -111.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.617 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' B' ' 423' ' ' VAL . 60.7 m-20 -97.61 -133.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' B' ' 422' ' ' ASP . 12.6 m 28.75 -124.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.52 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.529 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.73 160.1 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.9 t -134.18 119.77 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 43.9 pttt -126.6 173.55 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.575 HE22 ' HB ' ' A' ' 80' ' ' ILE . 4.7 pt20 -160.82 136.58 8.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.7 m -83.92 124.09 30.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.667 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.3 t -125.01 126.71 71.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.46 124.72 30.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.484 HD11 HG23 ' A' ' 9' ' ' ILE . 50.0 mt -87.51 106.01 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 40.6 p -83.83 55.65 3.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' THR . 35.2 m120 66.01 19.16 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.487 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' H ' ' A' ' 14' ' ' GLY . 2.2 tptp -160.37 102.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.583 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.555 ' CD2' ' H ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -67.45 0.96 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.56 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.632 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 116.53 32.19 1.66 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.686 ' SD ' ' HD2' ' A' ' 18' ' ' ARG . 16.9 ttt 91.93 1.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.602 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 1.061 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 11.2 p80 40.11 -179.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 21' ' ' MET . . . 52.03 -74.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.686 ' HD2' ' SD ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -49.65 -56.76 14.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.558 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 1.061 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 29.7 Cg_endo -66.3 -45.32 5.54 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.72 2.28 . . . . 0.0 112.076 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB3' HD12 ' A' ' 52' ' ' LEU . . . -68.82 -37.8 79.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.59 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.574 ' N ' ' O ' ' A' ' 17' ' ' ALA . 2.0 tmt? -74.58 -39.45 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.596 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.579 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 19.4 mmtp -62.16 -36.5 82.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.564 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 tp -50.61 -45.0 57.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.647 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.585 ' N ' ' CD2' ' A' ' 24' ' ' PHE . 1.8 m-30 -57.95 -37.08 73.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -76.49 -32.6 58.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 30' ' ' PHE . 3.4 mm? -69.49 -41.44 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.528 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.3 mtp -56.93 -33.16 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 24' ' ' PHE . 7.2 mm100 -78.59 -36.35 44.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.9 -29.74 50.36 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . 16.6 m-85 -107.67 150.45 26.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.549 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.487 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 70.4 m-20 -95.15 97.26 9.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.549 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.812 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 164.94 154.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.552 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -99.38 130.63 45.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.585 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.3 t -107.97 134.34 50.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.439 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.31 137.81 41.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.2 mp -108.24 150.87 26.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.397 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.552 ' NE ' ' OE2' ' A' ' 43' ' ' GLU . 11.5 mtp180 -146.35 135.41 22.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -92.09 153.62 19.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -50.79 -28.59 9.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -67.77 -10.9 56.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.47 11.75 59.16 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.9 m -84.29 117.24 23.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.655 0.264 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.552 ' OE2' ' NE ' ' A' ' 37' ' ' ARG . 55.1 mm-40 -78.21 103.29 8.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.494 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.43 ' CA ' ' HB3' ' A' ' 51' ' ' ALA . . . -89.47 65.25 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -41.03 121.63 1.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.538 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.3 -9.33 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -99.91 27.4 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -146.05 123.86 11.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.605 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.3 m -63.89 -35.49 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.995 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -61.78 -35.88 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.58 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HB3' ' CA ' ' A' ' 44' ' ' ALA . . . -66.53 -42.03 87.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.471 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.84 -39.5 81.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.569 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.995 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 1.8 pp -64.46 -35.94 82.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.596 ' O ' ' SD ' ' A' ' 54' ' ' MET . 1.1 tmm? -68.52 -35.96 78.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.52 -35.24 80.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -52.81 -34.68 54.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 t -76.91 -6.5 52.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.93 28.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.603 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -68.43 97.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.487 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.08 6.22 39.84 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.73 164.32 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -97.25 143.42 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.657 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.628 HG12 ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -131.13 160.84 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.494 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.628 ' N ' HG12 ' A' ' 63' ' ' ILE . 57.4 mp0 -122.89 101.01 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 21.7 t -80.93 127.9 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.49 139.04 53.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.71 130.57 30.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.63 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.7 m -123.67 128.84 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.532 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.812 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 142.51 161.0 8.58 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -46.54 -45.54 19.26 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.864 2.376 . . . . 0.0 112.156 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.543 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 3.4 mt-30 -93.07 4.89 53.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.448 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.559 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 9.5 pt-20 -35.79 -38.47 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 81.3 mt-10 -63.81 -48.37 77.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.8 mp0 -58.1 -50.19 74.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.35 -48.06 79.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.476 ' HG ' ' NE2' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -65.62 -43.86 88.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.536 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' O ' HG21 ' A' ' 80' ' ' ILE . . . -62.55 -42.31 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.19 99.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.533 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -66.91 -41.89 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.575 ' HB ' HE22 ' A' ' 5' ' ' GLN . 0.9 OUTLIER -65.41 -40.88 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.507 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.533 ' N ' HG21 ' A' ' 80' ' ' ILE . . . -63.85 -36.37 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.477 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.8 mt -73.66 -36.91 65.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.505 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.2 m-85 -69.31 -33.05 72.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.643 ' O ' ' HB2' ' A' ' 85' ' ' SER . 3.3 m120 -81.2 -8.77 59.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.626 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.643 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 29.2 m . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.606 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . 0.453 HH22 ' CD2' ' B' ' 401' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . 0.47 ' O ' ' CD ' ' B' ' 392' ' ' GLU . 50.2 mm -120.85 131.58 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -80.29 122.24 26.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -121.91 160.5 24.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.638 ' CD2' ' N ' ' B' ' 174' ' ' LEU . 2.8 mm? -83.25 112.13 36.45 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.491 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.07 119.71 6.35 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.758 2.305 . . . . 0.0 112.127 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -93.26 -42.51 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -133.2 111.09 12.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.4 155.74 1.17 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.772 2.314 . . . . 0.0 112.191 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 125.95 160.95 10.81 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 14.6 p -118.14 132.3 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.373 . . . . 0.0 110.584 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -136.05 135.15 39.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 11.9 pt -124.62 132.99 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.526 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 178.76 173.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.62 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -79.77 158.92 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . . . . . . . . . . . -89.86 128.24 9.12 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . 0.461 ' O ' ' CG2' ' B' ' 326' ' ' VAL . 10.0 t90 -122.23 133.75 54.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 0.0 110.539 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . 0.551 ' OE1' ' O ' ' B' ' 326' ' ' VAL . 69.8 tp60 -116.43 119.1 34.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -58.63 132.62 54.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.532 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' B' ' 191' ' ' LEU . . . -80.44 9.98 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.637 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 190' ' ' THR . . . . . 0.447 ' C ' ' O ' ' B' ' 189' ' ' ALA . 38.6 m -36.78 114.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 189' ' ' ALA . 57.9 mt -101.38 147.17 33.42 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.724 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.462 ' C ' ' N ' ' B' ' 194' ' ' MET . 49.6 Cg_endo -72.53 68.95 3.54 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.931 2.421 . . . . 0.0 112.058 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.05 -14.87 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.654 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 194' ' ' MET . . . . . 0.533 ' N ' ' SD ' ' B' ' 194' ' ' MET . 0.0 OUTLIER -68.55 -45.36 72.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.668 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -100.2 -6.95 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.659 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -92.17 -13.49 30.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . 0.425 ' O ' ' CD1' ' B' ' 198' ' ' TYR . 6.1 p -49.96 149.31 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.563 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' B' ' 197' ' ' VAL . 0.3 OUTLIER -173.39 103.08 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.575 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -140.08 169.36 17.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -73.31 -170.54 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 89.2 p -116.79 83.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.498 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.43 115.09 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.639 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.425 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 0.5 OUTLIER -83.92 131.01 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.486 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.794 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 73.4 m-20 -149.87 93.74 3.91 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.654 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . 0.54 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 35.5 Cg_endo -68.07 -26.99 36.36 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.791 2.327 . . . . 0.0 112.032 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -74.14 -44.63 52.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.463 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' B' ' 211' ' ' ARG . 9.7 mp -82.36 -37.21 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.794 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 77.2 mm-40 -69.7 -50.06 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.452 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . 0.551 ' NH2' ' CZ ' ' B' ' 259' ' ' PHE . 48.2 tpt85 -55.25 -47.57 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.388 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.05 -39.99 75.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.639 ' NH1' ' OE2' ' B' ' 269' ' ' GLU . 29.5 mtp180 -53.79 -42.16 68.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.371 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.28 -48.56 72.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.434 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 34.2 m -53.92 -49.02 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.389 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.33 -34.61 90.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . 0.413 ' CB ' HD22 ' B' ' 309' ' ' LEU . . . -72.32 -42.18 65.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.737 0.303 . . . . 0.0 110.451 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 3.9 tp -58.74 -49.14 78.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.464 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -51.84 -35.01 43.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -77.48 -34.26 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -82.47 -48.12 11.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.481 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.4 93.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.509 ' O ' ' HD3' ' B' ' 225' ' ' ARG . 98.1 m-20 -68.8 -31.27 70.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.514 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.659 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.2 OUTLIER -64.03 -37.86 88.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . 0.681 ' CD1' ' OG ' ' B' ' 246' ' ' SER . 0.0 OUTLIER -71.36 -49.92 37.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . 0.622 ' N ' ' CG ' ' B' ' 223' ' ' PHE . 4.4 ttm180 -51.18 -42.56 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.465 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . 0.722 ' O ' ' HG2' ' B' ' 229' ' ' ARG . 40.9 mtp180 -76.17 -31.28 58.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.461 ' HA ' ' HE ' ' B' ' 229' ' ' ARG . 0.2 OUTLIER -64.6 -69.93 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.472 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 87.6 p -52.75 -36.52 57.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.508 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -53.1 -54.0 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . 0.722 ' HG2' ' O ' ' B' ' 225' ' ' ARG . 9.9 ptt180 -74.01 -45.68 48.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . 0.606 ' O ' ' N ' ' B' ' 234' ' ' ALA . 1.3 m-85 -52.45 -56.78 12.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -53.2 -34.11 55.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.469 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -63.74 -26.46 68.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -121.61 -63.93 0.23 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.606 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -52.17 -172.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.577 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.584 ' O ' ' OG1' ' B' ' 238' ' ' THR . 4.7 pt20 -91.52 161.12 15.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -34.4 57.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.49 -58.42 5.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.674 ' HG1' ' H ' ' B' ' 239' ' ' ALA . 6.5 p -41.32 -63.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . 0.674 ' H ' ' HG1' ' B' ' 238' ' ' THR . . . -52.97 -45.33 67.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.624 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -53.91 -40.55 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.635 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . 0.462 ' N ' HD13 ' B' ' 241' ' ' ILE . 1.0 OUTLIER -65.42 -60.29 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.604 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.17 -53.89 53.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.04 -44.8 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 21.5 tp -69.3 -41.34 76.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.565 ' O ' ' N ' ' B' ' 248' ' ' LEU . 0.5 OUTLIER -70.81 -41.4 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 246' ' ' SER . . . . . 0.681 ' OG ' ' CD1' ' B' ' 223' ' ' PHE . 44.1 m -43.81 -42.14 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.617 ' HA ' ' HG ' ' B' ' 250' ' ' SER . 2.2 t-80 -75.42 -10.79 59.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.848 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 6.2 tt -70.53 -47.15 61.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.538 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . 0.81 ' HG ' ' N ' ' B' ' 250' ' ' SER . 0.7 OUTLIER -85.71 -37.16 19.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 250' ' ' SER . . . . . 0.81 ' N ' ' HG ' ' B' ' 249' ' ' LEU . 54.0 p -64.14 -31.93 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.849 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 10.1 p30 -54.82 117.59 3.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -6.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.621 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.556 ' H ' ' C ' ' B' ' 251' ' ' ASP . 14.1 ttp-105 -68.52 -58.73 3.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.659 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -47.68 82.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.561 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -59.51 -46.04 89.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.698 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -54.98 -42.18 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.4 -45.36 91.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.68 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.87 -51.0 71.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.704 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . 0.551 ' CZ ' ' NH2' ' B' ' 209' ' ' ARG . 26.6 m-85 -57.99 -32.8 68.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.562 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -58.37 -40.54 82.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.62 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . 0.793 ' C ' ' HG ' ' B' ' 266' ' ' SER . 1.2 mp0 -67.89 -36.56 80.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . 0.44 ' HA ' ' OG ' ' B' ' 266' ' ' SER . 54.4 t -69.33 -36.51 72.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.59 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -57.27 -21.26 33.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -85.79 -22.69 27.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 128.18 24.85 1.13 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 266' ' ' SER . . . . . 0.793 ' HG ' ' C ' ' B' ' 261' ' ' GLU . 26.9 p -100.68 162.47 12.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.616 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.581 ' O ' ' HB2' ' B' ' 271' ' ' ALA . 3.1 m -107.38 155.32 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . 0.472 ' CB ' ' OE1' ' B' ' 208' ' ' GLU . . . -54.19 -43.68 70.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.653 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.639 ' OE2' ' NH1' ' B' ' 211' ' ' ARG . 3.3 mp0 -44.66 -57.6 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.644 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -79.03 -37.02 40.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.561 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' B' ' 267' ' ' VAL . . . -57.08 -48.83 77.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.46 -36.08 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.647 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . 0.522 ' CD ' ' C ' ' B' ' 273' ' ' LYS . 0.0 OUTLIER -79.87 -38.15 33.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.721 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 98.7 m -67.82 -56.44 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.558 ' CG1' ' N ' ' B' ' 276' ' ' ILE . 3.6 p -51.7 -44.96 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.508 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.558 ' N ' ' CG1' ' B' ' 275' ' ' VAL . 22.5 mm -65.61 -37.91 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 0.8 OUTLIER -67.1 -35.65 80.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.533 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -70.25 -36.31 74.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.651 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' B' ' 283' ' ' PHE . 1.8 m-85 -85.33 -14.36 46.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.494 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . 0.514 ' O ' ' HB1' ' B' ' 284' ' ' ALA . . . -74.79 -32.93 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.645 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' B' ' 285' ' ' ALA . 6.4 mp0 -98.69 -39.92 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.614 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.77 -44.27 90.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.578 ' CD2' ' N ' ' B' ' 284' ' ' ALA . 0.0 OUTLIER -82.14 -33.02 29.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . 0.578 ' N ' ' CD2' ' B' ' 283' ' ' PHE . . . -85.79 1.09 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 281' ' ' GLU . . . -81.17 -7.25 59.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.66 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.438 ' HG ' ' CD1' ' A' ' 53' ' ' LEU . 2.0 mm? -75.22 -178.73 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.629 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 75.4 m -101.59 -32.06 10.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.652 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.611 ' OD1' HD21 ' B' ' 291' ' ' LEU . 8.9 t70 -49.76 142.44 8.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -83.52 -37.67 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . 0.6 ' HH ' HH11 ' B' ' 294' ' ' ARG . 30.9 t80 -45.8 -29.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.467 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.611 HD21 ' OD1' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -100.09 -63.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' B' ' 284' ' ' ALA . 0.1 OUTLIER -37.32 -41.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -72.46 -48.65 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.6 HH11 ' HH ' ' B' ' 290' ' ' TYR . 29.2 mtt180 -56.33 -19.42 14.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 294' ' ' ARG . . . -37.45 -50.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.42 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -47.41 -41.01 16.5 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' B' ' 294' ' ' ARG . 8.8 m-20 -65.53 -46.52 79.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 0.0 110.497 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.81 -54.53 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.378 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -59.35 -36.5 75.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . 0.42 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -62.32 -41.41 98.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.341 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -43.75 71.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.375 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.78 -41.72 99.21 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -45.01 94.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.862 0.363 . . . . 0.0 110.471 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.659 HH11 ' CD ' ' B' ' 222' ' ' GLU . 14.2 mmm-85 -63.47 -41.65 98.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.325 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . 0.412 ' O ' HD21 ' B' ' 309' ' ' LEU . 1.1 tp -65.61 -39.6 91.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.451 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.57 -37.83 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.36 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -67.25 -42.53 83.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.359 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 5.9 m-70 -69.48 -27.34 65.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.452 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . 0.413 HD22 ' CB ' ' B' ' 215' ' ' ALA . 0.9 OUTLIER -60.28 -15.35 24.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.589 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 313' ' ' ASN . 25.6 m-20 -110.73 111.65 22.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.504 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' B' ' 312' ' ' ALA . 3.4 p30 -39.04 -33.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' B' ' 311' ' ' ASP . . . -64.34 -47.83 77.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.504 ' CG ' ' H ' ' B' ' 314' ' ' GLN . 49.4 t30 32.4 -123.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . 0.504 ' H ' ' CG ' ' B' ' 313' ' ' ASN . 2.0 tp-100 -146.62 159.64 43.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -83.79 -151.57 12.23 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' B' ' 317' ' ' ASN . 52.6 Cg_endo -73.01 -167.75 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.798 2.332 . . . . 0.0 112.189 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . 0.524 ' O ' ' CD1' ' B' ' 319' ' ' TRP . 88.1 m-20 -37.85 -67.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.688 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . 55.94 21.06 4.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' B' ' 317' ' ' ASN . 89.4 m95 -99.65 158.71 31.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . 0.687 ' O ' ' HG3' ' B' ' 342' ' ' ARG . 52.7 Cg_endo -73.33 145.61 38.77 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.778 2.319 . . . . 0.0 112.129 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -72.96 -11.26 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 6.5 tpp85 -142.83 127.18 17.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 171.97 156.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' B' ' 325' ' ' LEU . 8.5 mt -110.22 156.13 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.481 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.475 ' N ' ' CG2' ' B' ' 324' ' ' ILE . 13.7 tp -102.85 125.59 49.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . 0.551 ' O ' ' OE1' ' B' ' 187' ' ' GLN . 0.6 OUTLIER -119.28 98.92 6.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -125.38 155.07 40.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . 0.592 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 6.3 p-10 -68.58 -30.88 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.544 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 329' ' ' GLU . 0.3 OUTLIER -148.01 132.86 18.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.44 118.41 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.575 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 75.1 m -128.63 134.83 48.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -49.49 -40.18 36.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 333' ' ' THR . . . . . 0.57 HG21 ' H ' ' B' ' 334' ' ' THR . 2.0 t -48.6 -49.25 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 334' ' ' THR . . . . . 0.57 ' H ' HG21 ' B' ' 333' ' ' THR . 8.7 m -60.53 -50.82 72.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 1.6 tp -50.16 -45.57 53.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -78.78 14.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -102.6 -37.02 8.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.97 HD23 ' O ' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -126.94 136.05 28.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.639 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . 0.634 ' O ' ' CD2' ' B' ' 338' ' ' LEU . 52.2 Cg_exo -47.9 147.16 7.79 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.84 2.36 . . . . 0.0 112.077 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -73.6 -22.27 60.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.16 -42.92 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.687 ' HG3' ' O ' ' B' ' 320' ' ' PRO . 3.8 mpt_? -77.0 -4.09 42.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 23.0 tp -97.18 100.08 11.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.485 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 17.4 m -107.25 14.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.624 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 160.77 144.91 4.13 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 3.6 p -138.63 152.45 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 0.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.74 126.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.511 HG13 ' H ' ' B' ' 350' ' ' ASP . 15.6 t -111.03 154.72 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -87.63 -31.84 19.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.665 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.558 ' O ' ' C ' ' B' ' 351' ' ' GLY . 58.6 t0 -142.8 -102.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . 0.558 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 25.71 72.34 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . 0.616 ' O ' ' CB ' ' B' ' 353' ' ' ALA . . . -90.75 178.52 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.606 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' B' ' 352' ' ' ALA . . . 89.8 -174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.604 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . 0.553 ' O ' ' O ' ' B' ' 355' ' ' SER . 38.1 m-20 -62.72 -42.46 99.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 355' ' ' SER . . . . . 0.553 ' O ' ' O ' ' B' ' 354' ' ' ASN . 0.1 OUTLIER 54.65 148.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.52 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' B' ' 360' ' ' MET . 29.8 mt-30 -67.59 -41.26 84.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -80.9 -48.64 12.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.625 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' B' ' 354' ' ' ASN . . . -53.72 -48.36 69.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.52 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' B' ' 360' ' ' MET . 15.0 tt -61.79 -40.52 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 360' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' B' ' 356' ' ' GLN . 55.6 mtm -69.74 -44.04 71.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . 0.497 HG11 ' N ' ' B' ' 362' ' ' ARG . 0.5 OUTLIER -62.63 -42.06 94.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.622 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.497 ' N ' HG11 ' B' ' 361' ' ' VAL . 2.8 mtt180 -62.65 -45.12 94.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.51 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.88 68.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.505 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.78 -26.18 64.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 89.44 31.21 11.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 2.2 mm -105.58 122.7 41.83 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.29 129.64 16.17 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.841 2.36 . . . . 0.0 112.205 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 98.3 m -148.69 151.26 34.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 4.0 p -146.95 149.37 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.546 ' O ' ' N ' ' B' ' 174' ' ' LEU . 2.3 mtt -133.47 163.54 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 107.52 2.52 35.14 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.03 109.09 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 110.548 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -99.46 34.3 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . 0.562 ' N ' ' CD1' ' B' ' 374' ' ' ILE . 0.0 OUTLIER -105.37 163.86 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.553 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 20.1 mp0 -80.68 118.66 73.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.608 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.44 -40.79 29.37 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.846 2.364 . . . . 0.0 112.122 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 35.3 t -53.3 -54.89 29.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.597 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 69.4 t -57.51 -42.05 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.45 ' C ' ' H ' ' B' ' 381' ' ' ARG . 3.9 mp -64.4 -35.9 82.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.706 ' CG ' ' O ' ' B' ' 380' ' ' HIS . 6.6 t60 -76.86 39.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.575 ' C ' ' HG2' ' B' ' 382' ' ' ARG . 0.3 OUTLIER -161.3 12.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.519 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . 0.575 ' HG2' ' C ' ' B' ' 381' ' ' ARG . 13.9 mmt85 -148.05 175.52 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 21.8 m -84.61 141.94 30.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.621 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 13.2 mt -115.08 140.47 49.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.444 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . 0.409 HD11 HG21 ' B' ' 385' ' ' ILE . 0.2 OUTLIER -130.46 95.54 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.533 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.1 141.78 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.695 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.678 ' O ' ' N ' ' B' ' 391' ' ' GLY . 60.1 t0 -139.16 81.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.587 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -51.61 -39.46 45.83 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -55.5 -50.99 68.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.572 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . 0.484 ' NH2' ' OD2' ' B' ' 422' ' ' ASP . 34.5 ttp180 -93.95 -11.89 29.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 55.0 47.06 75.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . 0.47 ' CD ' ' O ' ' B' ' 171' ' ' ILE . 1.0 OUTLIER -127.17 160.53 30.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.712 0.291 . . . . 0.0 110.581 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 12.3 tp -125.23 115.48 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.68 ' N ' ' CD2' ' B' ' 394' ' ' LEU . 1.4 mm? -96.69 154.77 17.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.587 ' O ' ' C ' ' B' ' 396' ' ' ASP . 18.4 m -123.28 91.07 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' B' ' 395' ' ' VAL . 16.6 p-10 23.72 56.21 0.3 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.535 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 40.4 Cg_endo -70.51 -173.29 0.79 Allowed 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.737 2.291 . . . . 0.0 112.152 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -50.06 143.62 12.06 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -72.82 -28.51 13.48 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.848 2.365 . . . . 0.0 112.16 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' B' ' 401' ' ' LEU . 13.9 p -72.7 -47.35 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . 0.467 ' N ' ' CG1' ' B' ' 400' ' ' VAL . 7.0 tp -58.77 -42.07 88.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.646 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.08 -30.71 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -62.72 -51.46 67.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.506 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -71.53 -36.81 71.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.465 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -51.03 -43.9 60.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . 0.409 ' O ' ' HB3' ' B' ' 410' ' ' SER . 57.5 tt0 -63.63 -38.57 91.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.55 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.513 ' HA ' ' HG ' ' B' ' 410' ' ' SER . 7.9 mtp180 -74.48 -34.18 63.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.581 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 39.1 mt -63.47 -46.91 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . 0.44 HG13 ' N ' ' B' ' 410' ' ' SER . 38.5 pt -75.9 -31.84 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.492 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 410' ' ' SER . . . . . 0.513 ' HG ' ' HA ' ' B' ' 407' ' ' ARG . 52.5 p -75.65 -20.0 58.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.593 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -56.79 -93.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.65 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 178.51 25.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 0.613 ' O ' ' N ' ' B' ' 415' ' ' LEU . 7.6 pt -113.95 -122.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.67 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' B' ' 413' ' ' ILE . 1.1 mm-40 24.77 -88.01 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.57 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' B' ' 413' ' ' ILE . 0.1 OUTLIER -51.87 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.626 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 71.1 m -47.18 -31.41 3.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' B' ' 414' ' ' GLU . 0.3 OUTLIER -127.08 71.4 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.631 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . 0.599 ' O ' ' CB ' ' B' ' 419' ' ' ALA . 0.3 OUTLIER -42.65 162.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.55 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . 0.599 ' CB ' ' O ' ' B' ' 418' ' ' LEU . . . 154.1 -21.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' B' ' 421' ' ' ASP . 11.9 tm-20 67.44 101.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.5 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' B' ' 423' ' ' VAL . 53.2 p-10 -92.07 -145.09 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.669 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.484 ' OD2' ' NH2' ' B' ' 390' ' ' ARG . 86.1 m-20 57.04 8.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.493 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' B' ' 422' ' ' ASP . 35.5 m 32.4 -144.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.627 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.519 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.5 t -84.6 159.16 20.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.573 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.467 ' HB ' ' OE1' ' A' ' 72' ' ' GLU . 69.0 t -133.2 120.36 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.6 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 5' ' ' GLN . 46.6 pttt -127.61 171.24 11.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.641 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 62.8 mt-30 -158.82 135.0 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.9 m -81.95 124.29 29.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.4 t -125.16 127.08 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -83.43 125.92 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.477 HG21 HD11 ' A' ' 9' ' ' ILE . 39.7 mt -88.95 105.29 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 1.24 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 57.6 p -83.4 56.62 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 1.24 ' OD1' ' O ' ' A' ' 10' ' ' THR . 2.6 p-10 63.83 24.57 13.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -165.58 99.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.73 HD11 ' O ' ' A' ' 13' ' ' LEU . 1.1 tm? -61.03 -11.54 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.564 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.45 -89.7 0.11 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.643 ' O ' ' N ' ' A' ' 17' ' ' ALA . 10.1 mtm -133.57 -164.74 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.585 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.705 ' C ' ' H ' ' A' ' 18' ' ' ARG . 8.0 t-80 -58.08 68.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.56 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.643 ' N ' ' O ' ' A' ' 15' ' ' MET . . . 55.88 -7.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.503 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.705 ' H ' ' C ' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -43.77 -53.1 13.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.621 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 51.8 Cg_exo -47.87 -49.17 14.27 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.796 2.331 . . . . 0.0 112.166 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.05 87.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.2 tpt -64.94 -40.68 95.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.502 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -64.06 -37.71 88.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.22 -45.54 53.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -56.92 -39.45 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.566 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -73.85 -33.91 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.65 -43.12 81.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.6 -33.68 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -79.26 -34.58 42.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.67 -31.05 41.78 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -106.04 153.24 22.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.511 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 10.2 m-20 -97.38 94.1 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.795 ' HB2' ' HA3' ' A' ' 69' ' ' GLY . . . 167.64 155.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -100.3 130.23 46.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.7 p -107.37 132.87 53.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -134.53 136.38 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 3.6 mp -106.06 151.23 24.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -147.72 133.87 19.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.658 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.915 ' ND2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -91.02 156.12 18.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.63 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -53.21 -28.45 26.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.632 ' CA ' HD22 ' A' ' 38' ' ' ASN . 2.9 tp10 -67.47 -10.22 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.609 ' N ' ' ND2' ' A' ' 38' ' ' ASN . . . 91.53 12.32 59.74 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.915 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 68.7 m -85.21 116.57 23.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.643 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.488 ' OE1' ' CG ' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -77.47 103.65 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.569 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.9 64.98 6.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' CG ' ' OE1' ' A' ' 43' ' ' GLU . 41.8 mt-10 -40.26 121.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.16 -9.7 12.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.696 ' C ' HD21 ' A' ' 47' ' ' ASN . 0.3 OUTLIER -99.81 27.54 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -145.63 124.48 12.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.559 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 p -64.13 -36.13 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.505 HG12 ' N ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -61.29 -37.15 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.505 ' N ' HG12 ' A' ' 50' ' ' ILE . . . -65.21 -42.01 93.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.55 -38.39 80.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.735 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -65.82 -33.49 75.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.601 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.494 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 1.2 tpt -71.81 -34.67 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -64.86 -34.46 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.594 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -34.79 61.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.88 -6.62 51.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.484 ' CB ' HH11 ' A' ' 61' ' ' ARG . . . -83.25 28.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.612 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -68.72 97.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.01 5.89 40.43 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.484 HH11 ' CB ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -105.83 165.27 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.549 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.91 142.47 30.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.415 HG21 ' HA ' ' A' ' 38' ' ' ASN . 40.6 pt -130.17 162.34 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.584 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.684 ' O ' ' OE1' ' A' ' 66' ' ' GLU . 41.8 tt0 -124.55 100.82 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -80.56 128.23 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.538 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.684 ' OE1' ' O ' ' A' ' 64' ' ' GLU . 3.9 pm0 -120.88 138.01 54.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.554 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.54 131.92 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 73.1 m -124.91 128.28 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.795 ' HA3' ' HB2' ' A' ' 32' ' ' ALA . . . 142.84 162.54 9.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -47.28 -45.82 21.26 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.828 2.352 . . . . 0.0 112.124 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.7 mp0 -92.76 5.26 51.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.655 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.586 ' OE1' ' C ' ' A' ' 72' ' ' GLU . 1.3 pp20? -35.57 -38.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 5.9 tp10 -63.98 -49.56 72.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.548 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' GLN . 14.3 mp0 -56.96 -51.17 70.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.621 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' O ' ' CG1' ' A' ' 79' ' ' VAL . . . -56.04 -49.36 73.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.98 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -64.67 -44.11 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.531 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.0 99.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.48 -43.9 98.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.98 HG23 ' O ' ' A' ' 76' ' ' LEU . 2.5 m -66.44 -42.75 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.505 ' N ' ' CG2' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -64.72 -41.75 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.472 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.501 ' N ' HG21 ' A' ' 80' ' ' ILE . . . -63.73 -35.3 80.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.457 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 36.6 mt -74.16 -37.73 63.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.507 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.475 ' N ' ' CD2' ' A' ' 83' ' ' PHE . 10.3 m-30 -69.78 -31.87 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.458 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 85' ' ' SER . 93.0 m-20 -82.39 -3.46 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.57 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.32 150.04 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.6 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.523 HH12 ' CZ ' ' B' ' 390' ' ' ARG . 7.5 mmt180 -100.95 128.03 47.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' B' ' 370' ' ' MET . . . -128.39 158.72 37.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.552 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' B' ' 370' ' ' MET . 11.8 mt -69.8 115.62 35.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.88 102.0 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.78 2.32 . . . . 0.0 112.139 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -78.1 -35.83 48.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.464 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -143.25 135.79 13.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.66 148.35 46.95 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.72 2.28 . . . . 0.0 112.132 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 130.09 164.3 11.32 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 61.3 t -105.03 156.46 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.568 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -146.78 126.23 13.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.619 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 17.2 tt -132.71 119.52 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 175.9 -178.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.466 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -77.83 152.33 33.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.619 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -92.14 142.34 15.99 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . 0.48 ' CE3' ' O ' ' B' ' 187' ' ' GLN . 9.9 t90 -148.82 140.52 23.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 110.617 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . 0.48 ' O ' ' CE3' ' B' ' 186' ' ' TRP . 16.6 pt20 -74.54 152.22 39.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' B' ' 190' ' ' THR . 53.7 p-10 -53.04 169.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -71.31 46.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 190' ' ' THR . . . . . 0.459 ' H ' ' C ' ' B' ' 188' ' ' ASP . 86.2 m -120.79 126.8 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.53 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 9.5 mt -131.53 118.16 16.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.6 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -47.9 114.15 1.01 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.818 2.346 . . . . 0.0 112.092 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' B' ' 195' ' ' GLU . 2.6 tp -131.55 -48.12 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 194' ' ' MET . . . . . 0.414 ' C ' ' O ' ' B' ' 193' ' ' LEU . 64.1 mtt -37.94 -23.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . 0.589 ' C ' ' H ' ' B' ' 197' ' ' VAL . 76.3 mm-40 -66.95 -21.43 65.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -69.49 34.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.52 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . 0.589 ' H ' ' C ' ' B' ' 195' ' ' GLU . 2.0 p -73.65 105.23 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . 0.666 ' CD1' ' O ' ' B' ' 199' ' ' GLN . 10.5 p90 -126.09 178.24 5.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.485 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . 0.666 ' O ' ' CD1' ' B' ' 198' ' ' TYR . 13.3 tm0? -80.77 139.86 35.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.487 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -177.53 118.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 10.1 m -123.25 88.32 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 3.4 m -142.53 90.24 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.673 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.898 ' CD1' ' N ' ' B' ' 203' ' ' LEU . 0.0 OUTLIER -86.09 142.26 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.461 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.771 ' HB2' ' HG2' ' B' ' 208' ' ' GLU . 75.9 m-20 -147.72 101.9 3.69 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -70.59 -2.82 11.38 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.629 2.22 . . . . 0.0 112.061 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -113.24 -39.0 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.483 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . 0.879 ' O ' ' HB3' ' B' ' 211' ' ' ARG . 0.8 OUTLIER -88.91 -33.57 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.771 ' HG2' ' HB2' ' B' ' 204' ' ' ASP . 69.2 mm-40 -76.51 -44.64 34.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -70.34 -48.34 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.637 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . 0.541 ' O ' HG22 ' B' ' 213' ' ' THR . 6.7 tm-20 -67.25 -43.37 82.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.456 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.879 ' HB3' ' O ' ' B' ' 207' ' ' LEU . 0.1 OUTLIER -64.13 -33.45 75.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.452 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . 0.621 ' N ' ' HG3' ' B' ' 211' ' ' ARG . 2.1 mt -69.24 -62.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.499 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 213' ' ' THR . . . . . 0.541 HG22 ' O ' ' B' ' 210' ' ' GLU . 6.2 t -45.02 -50.49 10.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.428 ' N ' ' CG2' ' B' ' 213' ' ' THR . . . -57.68 -37.19 82.29 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.14 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.496 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.726 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.9 mp -54.24 -49.87 68.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 0.7 OUTLIER -50.66 -35.88 32.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.442 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.62 -38.22 48.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -85.77 -50.62 7.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.68 -49.34 73.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.562 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.591 ' C ' ' HE ' ' B' ' 225' ' ' ARG . 96.9 m-20 -63.0 -34.74 78.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.476 ' OE2' ' CZ ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -60.78 -43.16 98.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . 0.425 ' N ' ' HG2' ' B' ' 222' ' ' GLU . 24.5 m-85 -64.92 -45.87 84.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.655 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . 0.535 ' NH1' ' OD1' ' B' ' 221' ' ' ASN . 5.0 mtp180 -65.67 -37.53 86.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.478 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . 0.591 ' HE ' ' C ' ' B' ' 221' ' ' ASN . 80.3 mtm180 -71.72 -32.13 67.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 8.1 m-30 -64.91 -52.51 56.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.477 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 227' ' ' SER . . . . . 0.454 ' H ' ' HG ' ' B' ' 227' ' ' SER . 2.2 p -53.74 -50.44 65.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.457 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -40.44 75.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -71.91 -41.7 67.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.528 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' B' ' 234' ' ' ALA . 21.2 m-85 -69.62 -41.42 75.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.632 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -50.46 -33.5 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.471 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.62 -22.64 62.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -129.87 -65.65 0.11 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -51.27 164.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.486 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.519 HE21 ' HB3' ' B' ' 237' ' ' GLU . 8.7 pt20 -71.44 -176.62 1.58 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -72.94 -38.67 66.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.505 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.519 ' HB3' HE21 ' B' ' 235' ' ' GLN . 41.3 tt0 -47.18 -54.94 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.471 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -52.5 -61.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.613 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -50.99 -41.8 59.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.21 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . 0.471 ' HB ' ' O ' ' B' ' 238' ' ' THR . 5.8 mm -66.21 -66.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.504 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.574 ' O ' ' N ' ' B' ' 245' ' ' TYR . 11.1 m-85 -54.49 -60.83 2.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' B' ' 242' ' ' PHE . 63.9 t0 -35.33 -41.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.56 -41.27 84.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' B' ' 242' ' ' PHE . 19.5 m-30 -63.2 -48.17 79.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.575 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.9 -46.74 52.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.614 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -70.66 -34.01 71.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.537 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.598 ' HG ' ' N ' ' B' ' 249' ' ' LEU . 0.1 OUTLIER -69.12 -39.41 78.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . 0.598 ' N ' ' HG ' ' B' ' 248' ' ' LEU . 16.9 tp -75.88 -42.39 49.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.628 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 88.6 p -71.99 -14.22 61.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.799 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 44.9 p30 -51.89 133.32 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 71.0 p -60.55 -2.31 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.5 ' H ' ' C ' ' B' ' 251' ' ' ASP . 48.4 ttt85 -77.88 -49.36 14.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.537 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 2.1 tt -73.23 -45.73 54.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.558 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.428 HH21 ' HD2' ' B' ' 255' ' ' ARG . 9.3 ttm180 -57.45 -48.62 78.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -56.97 -43.09 81.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.594 ' OE2' ' CZ ' ' B' ' 279' ' ' PHE . 27.4 mt-10 -56.61 -45.9 81.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 254' ' ' LEU . 80.2 mt -54.39 -60.98 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -57.24 -34.32 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.32 92.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -69.04 -40.45 78.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 64.4 t -66.83 -38.34 81.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -58.96 -17.16 22.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.527 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -93.22 -19.51 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.534 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 119.95 30.3 1.51 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 34.0 m -107.35 156.57 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.544 ' O ' ' HB2' ' B' ' 271' ' ' ALA . 0.2 OUTLIER -97.54 143.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' B' ' 269' ' ' GLU . . . -53.39 -59.1 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.541 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' B' ' 268' ' ' ALA . 2.5 mp0 -32.2 -50.41 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 -35.28 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.607 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' B' ' 267' ' ' VAL . . . -54.42 -46.44 73.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.539 ' O ' ' CG2' ' B' ' 276' ' ' ILE . 18.8 m -67.21 -30.77 50.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -74.64 -42.97 57.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 93.5 m -66.58 -52.26 47.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.61 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.483 HG22 ' O ' ' B' ' 271' ' ' ALA . 71.2 t -52.73 -58.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.572 HG13 ' N ' ' B' ' 277' ' ' GLU . 28.4 pt -56.18 -39.51 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.572 ' N ' HG13 ' B' ' 276' ' ' ILE . 43.3 tp10 -66.72 -38.23 86.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' B' ' 282' ' ' GLN . 5.2 ttpt -76.68 -22.07 54.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . 0.594 ' CZ ' ' OE2' ' B' ' 257' ' ' GLU . 0.6 OUTLIER -85.41 -34.8 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.622 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . 0.675 ' O ' ' CB ' ' B' ' 284' ' ' ALA . . . -72.76 -34.34 66.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.665 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' B' ' 285' ' ' ALA . 0.2 OUTLIER -78.58 -42.32 29.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . 0.517 ' HB3' ' CE2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -46.76 -56.2 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.528 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.644 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -79.01 -42.36 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.649 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . 0.702 ' HB1' ' CB ' ' B' ' 295' ' ' ALA . . . -61.27 6.94 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . 0.624 ' H ' ' C ' ' B' ' 283' ' ' PHE . . . -104.54 -3.49 23.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.428 ' O ' ' NZ ' ' B' ' 292' ' ' LYS . 0.2 OUTLIER -86.23 -167.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.653 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 78.2 p -109.28 -24.45 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.452 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.697 ' O ' ' HB2' ' B' ' 292' ' ' LYS . 4.1 m-20 -50.88 100.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.668 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -70.9 -43.03 69.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . 0.576 ' CD2' ' CD2' ' B' ' 291' ' ' LEU . 5.1 t80 -60.41 -31.51 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.436 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.58 ' O ' ' HB2' ' B' ' 294' ' ' ARG . 3.6 mm? -102.61 -34.49 9.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.697 ' HB2' ' O ' ' B' ' 288' ' ' ASP . 3.1 tttp -41.8 -52.98 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . 0.47 ' CD ' HE21 ' B' ' 356' ' ' GLN . 4.8 tt0 -43.27 -29.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.58 ' HB2' ' O ' ' B' ' 291' ' ' LEU . 9.4 tpp180 -40.24 -43.1 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.351 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . 0.702 ' CB ' ' HB1' ' B' ' 284' ' ' ALA . . . -57.59 -45.79 84.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.316 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -53.84 -45.39 70.28 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . 0.511 ' CG ' ' OH ' ' B' ' 245' ' ' TYR . 3.7 m-20 -62.71 -39.03 92.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 110.284 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . 0.444 ' N ' HD11 ' B' ' 298' ' ' LEU . 6.0 mp -60.29 -49.48 77.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.3 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -54.04 -44.82 71.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.216 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.22 90.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.173 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.85 -40.3 96.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.205 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.23 -41.86 99.62 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.34 -41.66 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.476 ' CZ ' ' OE2' ' B' ' 222' ' ' GLU . 1.5 mmm180 -68.55 -41.6 79.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.237 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.77 -39.74 84.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.296 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . 0.445 ' O ' HD21 ' B' ' 306' ' ' LEU . 2.4 tt -69.07 -38.73 79.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.399 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . 0.542 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.9 m-85 -68.88 -41.64 78.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.425 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . 0.476 ' C ' ' H ' ' B' ' 310' ' ' ASP . 42.2 m-70 -70.92 -28.38 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 9.4 tp -48.63 -13.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.524 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.77 ' O ' ' N ' ' B' ' 312' ' ' ALA . 0.0 OUTLIER -133.84 92.17 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -37.93 -13.8 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.478 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.77 ' N ' ' O ' ' B' ' 310' ' ' ASP . . . -73.48 -7.17 50.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' B' ' 310' ' ' ASP . 6.4 t30 -80.72 101.39 9.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 173.47 167.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . 0.78 ' C ' ' H ' ' B' ' 317' ' ' ASN . . . 135.38 -91.83 0.23 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -47.61 7.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.867 2.378 . . . . 0.0 112.136 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . 0.78 ' H ' ' C ' ' B' ' 315' ' ' GLY . 67.1 m-80 -58.31 -27.79 64.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.651 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -51.22 92.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.629 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.695 ' CD1' ' O ' ' B' ' 317' ' ' ASN . 1.2 m-90 -86.84 127.43 59.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.432 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . 0.432 ' CG ' ' CD1' ' B' ' 323' ' ' PHE . 52.4 Cg_endo -73.2 173.8 13.12 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.762 2.308 . . . . 0.0 112.036 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.18 -15.17 41.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.727 ' O ' ' HD1' ' B' ' 323' ' ' PHE . 20.7 mmm-85 -138.5 101.59 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.628 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.727 ' HD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER -150.24 154.01 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.599 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . 0.449 HG23 HD11 ' B' ' 324' ' ' ILE . 56.4 mt -115.78 137.44 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.404 ' CD2' ' C ' ' B' ' 325' ' ' LEU . 6.9 tt -94.56 122.69 37.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.647 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 34.4 t -119.25 118.51 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -140.24 136.9 33.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 51.7 p30 -64.27 -20.48 66.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.471 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' B' ' 330' ' ' LEU . 13.3 tm-20 -138.74 138.29 37.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.529 ' O ' ' OE2' ' B' ' 329' ' ' GLU . 98.5 mt -82.78 118.86 23.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.4 122.07 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.425 ' N ' ' HB3' ' B' ' 357' ' ' ALA . . . -60.51 -41.88 95.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 1.2 t -52.89 -33.57 50.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.61 -50.18 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.563 ' C ' ' H ' ' B' ' 337' ' ' GLU . 5.5 mp -61.42 -23.15 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.602 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.41 11.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.563 ' H ' ' C ' ' B' ' 335' ' ' LEU . 39.5 mt-10 -106.74 -34.23 7.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.651 ' N ' ' CD2' ' B' ' 338' ' ' LEU . 2.7 mm? -104.73 141.74 23.18 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.77 162.18 41.85 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.753 2.302 . . . . 0.0 112.157 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -70.64 -16.16 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.35 -39.75 64.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -25.63 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.566 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 90.4 mt -79.19 102.72 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 1.1 m -116.03 4.15 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 177.94 151.35 9.25 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 69.1 t -135.36 145.52 31.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.341 . . . . 0.0 110.6 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 61.9 t -147.13 120.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 0.4 OUTLIER -119.26 153.03 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.512 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . 0.41 ' N ' HG21 ' B' ' 348' ' ' VAL . 36.9 ttm-85 -86.25 -42.33 13.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.537 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.427 ' CG ' ' H ' ' B' ' 351' ' ' GLY . 5.3 p-10 -133.53 -116.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.548 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . 0.427 ' H ' ' CG ' ' B' ' 350' ' ' ASP . . . 64.3 160.24 0.39 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -69.2 153.42 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.11 -11.1 55.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -131.56 47.25 2.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 5.3 p -85.51 165.73 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . 0.47 HE21 ' CD ' ' B' ' 293' ' ' GLU . 16.0 pt20 -54.88 -37.47 66.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . 0.425 ' HB3' ' N ' ' B' ' 332' ' ' ALA . . . -77.88 -33.73 51.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.636 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.96 99.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.576 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 8.9 tt -73.74 -24.89 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.494 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 12.0 ttt -70.19 -48.28 57.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 46.1 t -66.48 -44.35 90.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.53 ' HG2' ' N ' ' B' ' 363' ' ' ALA . 0.0 OUTLIER -60.98 -46.43 90.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.628 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.53 ' N ' ' HG2' ' B' ' 362' ' ' ARG . . . -66.27 -29.25 69.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.581 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -26.8 67.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.507 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.49 22.14 24.99 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . 0.887 HG22 ' HD2' ' B' ' 367' ' ' PRO . 1.3 mm -104.35 143.22 26.25 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . 0.887 ' HD2' HG22 ' B' ' 366' ' ' ILE . 50.3 Cg_endo -72.65 131.09 16.76 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.892 2.395 . . . . 0.0 112.083 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 69.6 m -144.74 147.95 33.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.52 148.64 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.467 ' O ' ' CB ' ' B' ' 173' ' ' ALA . 0.1 OUTLIER -126.6 167.11 16.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 92.47 -1.14 72.04 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -54.95 114.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' B' ' 373' ' ' ASP . 25.6 p-10 -83.66 27.36 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 25.5 mm -112.23 126.25 69.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -83.5 131.97 51.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.7 -28.24 9.15 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.858 2.372 . . . . 0.0 112.002 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 37.7 t -52.21 -48.8 64.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 3.5 t -88.71 27.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.649 ' O ' ' C ' ' B' ' 380' ' ' HIS . 96.9 mt -124.94 -19.67 5.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.565 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.721 ' CD2' ' H ' ' B' ' 381' ' ' ARG . 2.5 p-80 15.66 -85.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.721 ' H ' ' CD2' ' B' ' 380' ' ' HIS . 0.1 OUTLIER -140.85 24.29 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.683 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.76 168.52 4.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 1.7 m -78.47 129.14 34.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.572 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 5.1 mt -119.82 136.51 54.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.592 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 96.7 mt -136.58 110.75 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.532 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 18.8 m -124.79 158.59 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.629 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.5 t0 -138.37 108.84 6.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -54.95 -37.25 62.04 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -60.14 -50.65 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . 0.523 ' CZ ' HH12 ' B' ' 172' ' ' ARG . 15.6 mmm180 -88.49 -8.14 55.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.582 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 47.23 49.87 18.13 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . 0.722 ' OE1' ' N ' ' B' ' 392' ' ' GLU . 1.5 pm0 -133.26 164.34 27.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.658 0.266 . . . . 0.0 110.659 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . 0.819 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 0.0 OUTLIER -126.22 130.83 51.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.516 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 6.9 mp -108.53 150.16 27.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.621 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.903 ' O ' ' OD1' ' B' ' 396' ' ' ASP . 15.0 p -123.74 102.59 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.502 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.903 ' OD1' ' O ' ' B' ' 395' ' ' VAL . 11.3 p30 29.93 50.1 0.37 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.939 ' O ' ' HD3' ' B' ' 399' ' ' PRO . 46.3 Cg_endo -71.64 178.74 5.36 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.764 2.309 . . . . 0.0 112.23 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.12 94.82 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . 0.939 ' HD3' ' O ' ' B' ' 397' ' ' PRO . 51.8 Cg_exo -47.78 -38.39 29.79 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.868 2.379 . . . . 0.0 112.105 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . 0.624 HG11 ' H ' ' B' ' 401' ' ' LEU . 9.9 p -60.88 -49.86 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.609 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . 0.624 ' H ' HG11 ' B' ' 400' ' ' VAL . 0.2 OUTLIER -61.13 -46.68 89.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.44 -21.4 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -48.15 32.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.18 -43.64 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -48.17 -53.31 17.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.631 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -60.06 -35.01 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.615 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -71.06 -31.15 67.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.38 -46.64 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.43 -48.48 82.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 91.6 p -64.6 -27.9 69.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' B' ' 412' ' ' GLU . 1.1 mm-40 -55.8 -50.99 68.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.533 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' B' ' 411' ' ' GLU . 0.9 OUTLIER 158.28 -0.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . . . . . . . . . 13.1 mt -79.62 44.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.675 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.78 87.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.5 -18.75 14.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 70.5 p -118.58 63.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -73.39 -40.92 63.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 5.1 mt -82.03 -61.93 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.513 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' B' ' 420' ' ' GLU . . . -175.75 -77.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.501 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' B' ' 419' ' ' ALA . 10.6 mp0 -141.91 95.49 2.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.596 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -93.44 -161.65 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.615 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -60.91 128.6 37.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.0 -135.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 63.9 t30 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.673 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.641 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.7 p -82.92 158.19 22.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.661 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -132.43 117.83 33.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 6.1 pttp -125.62 173.17 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -162.73 133.58 4.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.46 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.427 ' CG2' ' CD ' ' A' ' 62' ' ' GLN . 24.7 m -78.74 129.42 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.652 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.4 t -130.3 123.67 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.436 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -80.13 127.89 32.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.459 HD11 HG23 ' A' ' 9' ' ' ILE . 89.9 mt -91.22 105.43 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.535 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 1.187 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 88.6 m -83.59 58.01 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 1.187 ' OD1' ' O ' ' A' ' 10' ' ' THR . 24.1 p30 61.97 24.36 14.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' ' 14' ' ' GLY . 1.1 mmtm -164.8 99.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.522 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.65 ' H ' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -64.45 -3.71 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.46 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 16' ' ' HIS . . . 145.29 -144.45 13.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.507 ' HE3' ' HG2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -64.36 3.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 110.515 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.649 ' NE2' ' CE2' ' B' ' 290' ' ' TYR . 5.5 t-160 75.44 106.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.775 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 67.99 -59.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.71 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.4 mpt_? -34.05 -46.43 0.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.775 ' HD2' ' C ' ' A' ' 17' ' ' ALA . 37.0 Cg_endo -68.95 -38.16 10.06 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.692 2.262 . . . . 0.0 112.115 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.564 ' CB ' HD11 ' A' ' 52' ' ' LEU . . . -71.89 -39.95 69.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 21' ' ' MET . 15.9 tmm? -72.91 -38.12 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -64.24 -36.54 84.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.28 -44.18 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -39.35 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -73.78 -35.14 64.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.704 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.888 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 6.1 mp -67.89 -41.25 83.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.811 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 51.9 ttm -58.12 -29.26 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.616 HE22 ' CE1' ' B' ' 247' ' ' HIS . 61.1 mt-30 -86.45 -28.12 23.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.08 -24.12 42.23 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.888 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 2.0 p90 -120.9 138.78 53.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.717 0.294 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 3.2 m-20 -80.19 110.65 15.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.746 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.17 148.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.512 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -98.63 127.46 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' O ' HD22 ' A' ' 35' ' ' LEU . 55.6 t -105.68 134.01 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.487 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD22 ' O ' ' A' ' 34' ' ' VAL . 67.9 mt -135.43 136.94 41.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.67 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mp -107.25 150.62 26.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -147.84 134.44 19.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.4 156.56 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.42 -27.64 25.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.51 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 10.8 mm-40 -68.15 -10.45 54.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.94 12.13 59.42 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -84.75 116.68 23.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -77.55 103.93 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.14 65.12 6.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.633 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -40.62 121.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.658 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.28 -9.55 12.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.476 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -99.88 28.54 4.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.11 123.61 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.521 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.7 p -63.74 -35.54 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.532 ' O ' HD23 ' A' ' 53' ' ' LEU . 20.4 tt -61.45 -36.28 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.637 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.08 -43.3 87.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.564 HD11 ' CB ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -58.2 -37.84 75.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.599 ' CD1' ' O ' ' B' ' 283' ' ' PHE . 0.0 OUTLIER -65.62 -35.45 80.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.534 ' N ' HD23 ' A' ' 53' ' ' LEU . 1.7 tmt? -69.54 -35.64 75.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.74 -36.37 83.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.625 ' OD1' ' OD2' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -52.06 -35.38 47.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.9 p -76.07 -6.35 50.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.448 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.34 28.84 0.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -68.93 97.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.05 6.04 40.14 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.51 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -107.12 163.6 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.743 0.306 . . . . 0.0 110.561 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' CD ' ' CG2' ' A' ' 6' ' ' THR . 38.4 tt0 -96.58 144.34 26.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.1 pt -131.59 161.93 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.49 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 29.2 mt-10 -123.38 101.56 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 21.9 t -81.75 126.71 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -119.25 139.35 52.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.22 130.59 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.8 m -123.78 129.61 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.545 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.801 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.53 161.45 8.73 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -46.66 -46.12 18.5 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.791 2.327 . . . . 0.0 112.109 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -92.42 5.62 50.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.515 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.801 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 5.2 pm0 -36.18 -37.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.63 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 20.3 pt-20 -63.85 -49.84 71.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 55.9 tt0 -56.4 -53.45 57.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.74 -49.82 67.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.682 ' O ' ' CG2' ' A' ' 80' ' ' ILE . 56.7 tp -64.51 -44.6 90.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.881 ' O ' HG12 ' A' ' 80' ' ' ILE . . . -61.9 -42.74 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.43 98.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.96 -43.16 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.631 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.881 HG12 ' O ' ' A' ' 77' ' ' ALA . 5.3 pt -64.0 -41.33 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.553 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.505 ' N ' ' CG1' ' A' ' 80' ' ' ILE . . . -63.85 -36.6 84.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -35.56 66.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.573 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.9 m-85 -71.72 -32.74 68.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.487 ' O ' ' HB3' ' A' ' 85' ' ' SER . 86.5 m-20 -82.53 -3.33 55.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.593 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 84' ' ' ASN . 9.4 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 4.3 mp -113.97 128.24 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -84.08 108.85 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.528 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' B' ' 391' ' ' GLY . . . -110.77 159.92 17.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.3 116.46 57.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.79 110.75 3.09 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.791 2.327 . . . . 0.0 112.185 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -86.41 -33.01 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.527 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.28 115.17 3.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.6 156.05 1.25 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.855 2.37 . . . . 0.0 112.144 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 123.33 164.72 12.13 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.2 m -120.95 133.5 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.544 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -124.0 131.98 53.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . 0.445 ' N ' ' CD1' ' B' ' 182' ' ' ILE . 0.0 OUTLIER -124.45 121.28 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.456 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 177.71 177.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -84.19 168.87 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.584 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.52 149.66 19.18 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -149.66 154.31 38.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.57 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.25 135.25 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.603 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.598 ' C ' ' H ' ' B' ' 190' ' ' THR . 0.0 OUTLIER -65.65 178.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.62 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.541 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -53.97 -2.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 190' ' ' THR . . . . . 0.598 ' H ' ' C ' ' B' ' 188' ' ' ASP . 0.0 OUTLIER -28.36 106.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.745 ' O ' ' N ' ' B' ' 193' ' ' LEU . 10.3 mt -141.29 124.63 9.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.569 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.702 ' O ' ' N ' ' B' ' 194' ' ' MET . 52.5 Cg_exo -47.62 66.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.795 2.33 . . . . 0.0 112.183 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . 0.745 ' N ' ' O ' ' B' ' 191' ' ' LEU . 0.4 OUTLIER -36.77 -19.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.684 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 194' ' ' MET . . . . . 0.702 ' N ' ' O ' ' B' ' 192' ' ' PRO . 35.2 mtm -73.55 -42.05 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' B' ' 192' ' ' PRO . 3.5 pt-20 -92.58 -8.12 45.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -70.13 8.1 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.526 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . 0.482 ' H ' ' C ' ' B' ' 195' ' ' GLU . 20.0 m -119.93 119.52 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' B' ' 198' ' ' TYR . 14.1 p90 -164.16 94.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -138.38 -179.15 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -68.66 -172.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.576 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 58.2 m -119.37 102.21 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 5.7 t -161.04 127.49 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.38 127.06 34.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.791 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 11.1 p-10 -153.93 98.0 2.63 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.547 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 34.6 Cg_endo -67.9 -37.22 15.98 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.745 2.297 . . . . 0.0 112.055 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.35 89.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.496 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.8 -37.9 12.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.455 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.791 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 67.0 mm-40 -70.9 -58.66 3.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . 0.651 HH22 HH22 ' B' ' 256' ' ' ARG . 0.0 OUTLIER -52.79 -48.99 66.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.487 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . 0.485 ' O ' HG23 ' B' ' 213' ' ' THR . 82.8 tt0 -62.33 -36.37 81.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.498 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.656 ' CB ' HH21 ' B' ' 211' ' ' ARG . 0.0 OUTLIER -59.1 -39.86 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . 0.515 ' O ' HD23 ' B' ' 216' ' ' LEU . 19.4 tp -66.51 -59.93 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.488 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 213' ' ' THR . . . . . 0.604 ' CG2' ' N ' ' B' ' 214' ' ' GLY . 0.6 OUTLIER -47.66 -46.53 29.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.604 ' N ' ' CG2' ' B' ' 213' ' ' THR . . . -66.12 -36.45 91.9 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.64 -41.9 68.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.544 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' B' ' 220' ' ' ALA . 3.0 mm? -59.69 -44.89 93.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 63.4 mm-40 -59.34 -34.62 72.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -77.1 -30.85 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.444 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -93.79 -48.5 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.705 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -57.3 -49.75 75.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 88.7 m-20 -64.65 -31.88 73.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.64 ' HG2' ' CE1' ' B' ' 226' ' ' TYR . 1.0 OUTLIER -78.65 -26.47 45.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . 0.576 ' CE2' ' CE2' ' B' ' 242' ' ' PHE . 0.2 OUTLIER -77.88 -36.36 49.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.491 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . 0.571 ' CZ ' HH22 ' B' ' 225' ' ' ARG . 53.2 mtp180 -72.68 -45.06 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . 0.571 HH22 ' CZ ' ' B' ' 224' ' ' ARG . 3.0 mpt_? -74.33 -22.43 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.64 ' CE1' ' HG2' ' B' ' 222' ' ' GLU . 2.0 m-85 -72.37 -52.29 16.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 227' ' ' SER . . . . . 0.739 ' HB3' ' CD2' ' B' ' 242' ' ' PHE . 9.8 p -73.29 -34.58 65.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.52 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' B' ' 224' ' ' ARG . 3.8 mtpp -58.15 -53.22 60.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' B' ' 226' ' ' TYR . 8.5 ptm180 -67.17 -38.0 84.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.543 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' B' ' 234' ' ' ALA . 0.6 OUTLIER -58.29 -47.17 84.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.63 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -53.58 -37.09 62.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.445 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.11 -20.3 16.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.518 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -125.25 -53.54 0.17 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -65.46 -166.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.63 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.682 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 4.4 tt0 -88.66 163.6 15.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . 0.682 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 3.8 tttt -64.16 -22.22 66.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -54.14 -44.56 71.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 238' ' ' THR . . . . . . . . . . . . . 26.9 m -57.04 -57.91 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' B' ' 243' ' ' ASP . . . -56.4 -43.6 79.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.437 ' CB ' ' NH1' ' A' ' 18' ' ' ARG . . . -59.15 -45.8 90.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.553 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . 0.715 HG21 ' N ' ' B' ' 242' ' ' PHE . 1.6 tp -72.32 -53.32 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.739 ' CD2' ' HB3' ' B' ' 227' ' ' SER . 0.4 OUTLIER -59.88 -57.76 11.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' B' ' 239' ' ' ALA . 33.8 t70 -40.19 -35.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.421 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -43.44 61.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.609 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.545 ' HH ' ' CB ' ' B' ' 297' ' ' ASP . 32.1 m-85 -65.78 -46.74 77.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 70.4 p -50.16 -42.12 50.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.616 ' CE1' HE22 ' A' ' 28' ' ' GLN . 0.5 OUTLIER -75.64 -28.75 58.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 0.2 OUTLIER -78.53 -50.39 11.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.615 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 40.1 tp -57.13 -47.72 80.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 250' ' ' SER . . . . . 0.585 ' O ' ' NH2' ' B' ' 255' ' ' ARG . 98.9 p -78.56 -9.01 59.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.586 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.555 ' C ' ' H ' ' B' ' 253' ' ' ARG . 67.7 t0 -48.03 121.99 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.606 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 72.0 p -53.14 -5.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.555 ' H ' ' C ' ' B' ' 251' ' ' ASP . 13.1 ttp180 -80.25 -49.71 11.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.44 -44.98 96.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.585 ' NH2' ' O ' ' B' ' 250' ' ' SER . 89.1 mtm-85 -59.52 -44.83 93.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . 0.651 HH22 HH22 ' B' ' 209' ' ' ARG . 0.0 OUTLIER -58.37 -38.85 78.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.07 -49.41 77.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.22 -49.11 78.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.678 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.09 -35.52 73.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.573 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.81 98.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -67.06 -42.16 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.53 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 58.8 t -66.87 -35.42 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.452 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.41 -17.73 14.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.519 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -90.67 -20.23 22.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.608 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 121.17 24.83 2.37 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 44.4 t -104.11 162.67 12.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.852 0.358 . . . . 0.0 110.568 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.19 144.0 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.565 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' B' ' 271' ' ' ALA . . . -57.67 -54.8 42.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.583 ' CD ' ' H ' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -34.18 -57.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.473 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . 0.505 ' O ' ' HG3' ' B' ' 273' ' ' LYS . 32.4 m0 -69.67 -29.9 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.537 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' B' ' 268' ' ' ALA . . . -70.8 -36.25 72.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.573 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.418 ' O ' ' HB ' ' B' ' 276' ' ' ILE . 49.7 t -60.75 -43.08 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.571 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . 0.598 ' HZ2' ' CB ' ' B' ' 273' ' ' LYS . 0.0 OUTLIER -80.03 -39.34 30.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 274' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 270' ' ' TRP . 99.1 m -60.28 -54.21 48.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.587 HG23 ' H ' ' B' ' 276' ' ' ILE . 35.2 m -59.16 -42.94 88.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.596 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.587 ' H ' HG23 ' B' ' 275' ' ' VAL . 0.9 OUTLIER -67.48 -46.01 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.532 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 73.8 mm-40 -65.62 -40.53 92.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' B' ' 282' ' ' GLN . 0.0 OUTLIER -63.22 -36.62 84.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -83.11 -13.37 55.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . 0.611 ' O ' ' CB ' ' B' ' 284' ' ' ALA . . . -71.29 -37.72 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.532 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 6.6 pm0 -96.83 -28.62 14.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' B' ' 278' ' ' LYS . 18.6 tt0 -61.18 -51.68 67.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -82.74 -30.24 29.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.596 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . 0.611 ' CB ' ' O ' ' B' ' 280' ' ' ALA . . . -81.65 2.32 30.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -80.42 -2.64 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.431 ' O ' ' NZ ' ' B' ' 292' ' ' LYS . 2.0 mm? -76.78 -172.76 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.48 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 78.4 p -109.88 -25.23 10.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.603 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.625 ' OD2' ' OD1' ' A' ' 56' ' ' ASP . 52.4 t0 -64.19 122.81 17.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.576 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -73.97 -29.42 61.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . 0.649 ' CE2' ' NE2' ' A' ' 16' ' ' HIS . 18.2 t80 -51.22 -42.83 61.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.583 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' B' ' 294' ' ' ARG . 0.1 OUTLIER -93.55 -54.32 3.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.496 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' B' ' 295' ' ' ALA . 17.6 ttmm -39.29 -40.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.32 -38.68 90.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' B' ' 291' ' ' LEU . 1.0 OUTLIER -46.58 -24.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.534 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' B' ' 292' ' ' LYS . . . -41.03 -49.28 3.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -49.76 -43.18 38.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . 0.545 ' CB ' ' HH ' ' B' ' 245' ' ' TYR . 54.5 m-20 -65.3 -44.91 86.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.756 0.312 . . . . 0.0 110.448 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.91 -49.9 74.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.448 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 47.3 mtt85 -56.1 -38.51 70.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . 0.457 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -60.19 -41.02 92.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.291 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 71.6 mt -58.26 -44.54 88.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.349 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.68 98.87 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -65.02 -37.49 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.393 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.488 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 5.1 mmm180 -71.09 -40.63 71.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.355 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' B' ' 309' ' ' LEU . 43.6 mt -59.92 -42.3 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.316 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -39.39 94.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . 0.481 ' CE1' ' ND2' ' B' ' 313' ' ' ASN . 1.9 t80 -64.79 -46.94 79.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.441 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -75.93 -21.78 56.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.432 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 0.8 OUTLIER -83.61 -15.3 49.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.455 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' B' ' 313' ' ' ASN . 5.2 t70 -129.01 90.42 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.588 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -65.53 -8.74 21.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.654 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -94.7 9.3 39.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.481 ' ND2' ' CE1' ' B' ' 307' ' ' PHE . 2.2 t30 -63.48 -156.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.514 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -86.88 -179.06 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -55.57 159.48 6.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . 0.452 ' O ' ' CG ' ' B' ' 317' ' ' ASN . 52.6 Cg_endo -73.2 -60.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.863 2.375 . . . . 0.0 112.123 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' B' ' 316' ' ' PRO . 61.0 m-20 -170.31 -26.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . 1.216 ' O ' ' HD3' ' B' ' 320' ' ' PRO . . . 69.34 145.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.49 88.73 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . 1.216 ' HD3' ' O ' ' B' ' 318' ' ' ALA . 43.3 Cg_endo -71.25 143.13 43.05 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.764 2.309 . . . . 0.0 112.195 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -103.71 -54.69 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.602 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 15.9 ptt180 -168.08 127.8 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 90.9 m-85 -155.67 167.1 31.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.61 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 34.1 mt -114.72 143.17 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.57 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.614 ' CD1' HH11 ' B' ' 342' ' ' ARG . 1.2 mp -81.93 114.75 20.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 11.7 t -121.25 89.93 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -132.29 154.06 50.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.574 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 14.7 p-10 -67.4 -30.9 70.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -134.8 120.67 19.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.9 tp -103.64 131.66 50.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.5 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 4.2 m -144.06 160.62 40.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -51.2 -38.74 54.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 333' ' ' THR . . . . . 0.521 HG21 ' H ' ' B' ' 334' ' ' THR . 10.2 t -53.09 -47.21 68.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 334' ' ' THR . . . . . 0.521 ' H ' HG21 ' B' ' 333' ' ' THR . 89.6 m -60.47 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.513 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.6 OUTLIER -57.64 -42.96 84.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -64.23 -3.23 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' B' ' 335' ' ' LEU . 31.5 tt0 -97.43 -40.48 8.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' B' ' 338' ' ' LEU . 3.7 mm? -103.82 146.58 32.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.483 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . 0.585 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 51.3 Cg_endo -72.97 138.41 28.33 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.777 2.318 . . . . 0.0 112.187 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -28.3 70.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.786 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 15.5 p30 -60.51 -43.93 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.592 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.786 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 0.1 OUTLIER -77.35 -18.95 56.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.589 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.491 ' N ' ' HG3' ' B' ' 342' ' ' ARG . 3.9 tp -72.53 115.85 12.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.526 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 46.9 t -114.86 1.47 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 171.76 169.33 34.46 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 62.0 t -139.79 139.05 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 98.6 t -137.26 124.2 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.481 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 370' ' ' MET . 3.4 t -123.69 148.67 27.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -85.44 -38.21 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.498 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' B' ' 350' ' ' ASP . 1.1 p30 -166.69 115.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.552 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . 0.901 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . 154.78 -71.73 0.27 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . 0.901 ' O ' ' O ' ' B' ' 351' ' ' GLY . . . -32.08 179.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.363 . . . . 0.0 110.507 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.52 ' H ' ' HB1' ' B' ' 358' ' ' ALA . . . 80.07 -45.69 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.553 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -131.74 36.74 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 1.1 m -120.01 148.49 43.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 14.8 pt20 -48.71 -43.77 37.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . 0.451 ' O ' HG22 ' B' ' 361' ' ' VAL . . . -67.85 -39.05 83.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . 0.52 ' HB1' ' H ' ' B' ' 353' ' ' ALA . . . -53.07 -40.02 63.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 73.0 mt -70.94 -30.81 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -69.5 -51.95 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . 0.642 HG21 ' H ' ' B' ' 362' ' ' ARG . 5.5 m -64.88 -46.77 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.485 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.642 ' H ' HG21 ' B' ' 361' ' ' VAL . 8.0 ttp180 -59.16 -47.45 85.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.549 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.87 -22.77 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.656 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.7 mp -76.73 -24.8 53.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.552 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.08 24.19 23.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . 0.457 HG21 HD13 ' B' ' 366' ' ' ILE . 24.7 mm -101.77 123.75 42.88 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.66 126.19 12.18 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.706 2.271 . . . . 0.0 112.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 93.4 m -138.19 139.92 39.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 72.3 t -143.43 145.33 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.49 ' HA ' ' O ' ' B' ' 348' ' ' VAL . 19.0 ptm -136.17 168.3 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 111.25 2.9 27.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -70.85 113.02 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.483 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -102.68 33.3 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . 0.434 HD12 ' H ' ' B' ' 375' ' ' GLN . 6.4 tp -116.51 141.17 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 3.5 mp0 -67.98 116.51 39.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.458 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -47.69 -17.39 0.69 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.822 2.348 . . . . 0.0 112.2 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 30.5 t -55.7 -46.1 77.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.474 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 65.5 t -60.21 -41.08 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' B' ' 381' ' ' ARG . 2.3 mm? -73.19 -43.7 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.584 ' O ' ' O ' ' B' ' 185' ' ' GLY . 4.4 t60 36.94 -90.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.483 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' B' ' 379' ' ' LEU . 4.9 ptm180 -127.53 25.67 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.508 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.8 OUTLIER -78.1 170.62 16.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.5 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 383' ' ' THR . . . . . 0.491 ' OG1' ' HB3' ' B' ' 396' ' ' ASP . 7.2 p -74.04 129.91 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.603 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 30.7 mt -118.01 135.04 54.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.485 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 86.9 mt -124.95 94.53 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.728 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.89 146.05 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.8 t0 -133.77 79.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.637 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -47.22 -44.89 20.79 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -45.55 -47.67 14.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.604 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.4 7.35 22.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 44.12 52.21 7.08 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -120.05 152.91 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.565 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 6.0 tt -128.62 120.5 26.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.542 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 3.6 mp -117.03 160.21 21.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.617 ' O ' ' C ' ' B' ' 396' ' ' ASP . 62.9 t -121.87 108.53 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' B' ' 395' ' ' VAL . 2.1 p30 19.22 57.09 0.2 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.494 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.597 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.5 Cg_endo -71.45 175.3 9.62 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.868 2.379 . . . . 0.0 112.207 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -40.68 136.13 1.51 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.16 -24.23 20.39 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.787 2.325 . . . . 0.0 112.132 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . 0.433 ' O ' ' HG2' ' B' ' 404' ' ' GLU . 87.7 t -72.82 -49.33 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.644 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.4 -40.64 68.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.589 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -29.63 65.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . 0.417 ' HB3' ' OE2' ' B' ' 404' ' ' GLU . 46.9 tp60 -61.49 -50.1 74.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.525 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . 0.602 ' CD ' HH11 ' B' ' 407' ' ' ARG . 0.6 OUTLIER -69.46 -40.28 77.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -52.33 -52.0 55.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.77 -41.65 82.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.602 HH11 ' CD ' ' B' ' 404' ' ' GLU . 85.5 mtm180 -71.58 -32.5 68.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.06 -43.86 90.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.612 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.51 -44.29 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 82.1 p -66.56 -27.81 68.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.689 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.84 -10.11 8.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.567 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 59.47 31.77 21.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.603 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 0.653 ' CG2' ' O ' ' B' ' 413' ' ' ILE . 80.8 mt -102.21 40.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.522 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -145.13 -147.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.641 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.93 -9.35 16.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 28.7 t -75.74 58.53 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -121.03 -111.51 0.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 48.1 mt -102.04 48.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . 48.82 57.33 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . 0.691 ' O ' ' C ' ' B' ' 421' ' ' ASP . 6.5 tt0 -69.97 -66.68 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . 0.691 ' C ' ' O ' ' B' ' 420' ' ' GLU . 0.0 OUTLIER 2.33 98.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.579 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.51 ' O ' ' O ' ' B' ' 423' ' ' VAL . 0.2 OUTLIER -143.93 58.1 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . 0.51 ' O ' ' O ' ' B' ' 422' ' ' ASP . 48.9 t 39.75 97.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.514 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.62 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ptm . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 3' ' ' VAL . 4.2 m -82.42 159.59 22.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.572 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.624 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -133.54 118.39 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.511 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 4.1 pttt -125.4 172.23 9.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -160.6 135.59 7.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.431 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 127.32 33.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.68 125.99 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -81.52 127.28 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.3 mm -89.77 104.95 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 p -83.1 59.16 4.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 61.33 23.45 13.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HZ3' ' CB ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.98 103.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD13 ' HG2' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -66.81 -2.86 5.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.512 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.92 -96.78 0.17 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.57 ' O ' ' N ' ' A' ' 17' ' ' ALA . 31.9 mtt -136.31 104.31 5.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.65 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 49.61 -84.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.529 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.786 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . -157.49 5.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.444 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.876 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -57.09 -35.31 34.02 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.678 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.876 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 30.4 Cg_endo -66.5 -39.65 15.94 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.701 2.267 . . . . 0.0 112.049 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.561 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -72.72 -36.49 67.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.811 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -75.81 -39.69 56.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.456 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -62.18 -37.2 84.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.65 -44.17 47.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.664 ' CZ ' ' CE1' ' B' ' 247' ' ' HIS . 0.7 OUTLIER -58.06 -37.98 75.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.576 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.52 -33.49 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.621 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.928 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 1.4 mm? -69.95 -39.9 75.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.687 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.812 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 5.4 ttt -60.66 -27.54 67.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -86.52 -28.01 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.03 -23.05 39.48 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.928 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.7 p90 -120.46 136.2 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.601 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 65.7 t0 -77.57 111.56 13.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.503 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.775 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 153.83 147.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -98.36 129.55 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.575 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -106.26 134.81 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.476 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.9 135.62 39.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.609 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 1.9 mm? -105.94 151.69 24.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.499 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.423 ' C ' HD21 ' A' ' 38' ' ' ASN . 39.2 ttm180 -149.36 133.62 17.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.712 HD21 ' N ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -89.91 156.83 18.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.13 -29.11 29.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -65.98 -11.39 47.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.529 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.88 11.18 59.24 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.5 m -84.02 117.55 23.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 110.63 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -78.25 103.39 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.41 65.47 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.615 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.534 ' HB3' HD21 ' A' ' 47' ' ' ASN . 91.4 mt-10 -40.94 121.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.77 -9.69 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.546 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -99.98 27.4 5.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.64 123.07 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.659 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.614 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 98.5 t -63.56 -35.54 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 tt -61.79 -35.78 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -41.78 85.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.56 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.561 HD12 ' HB1' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.69 -39.84 81.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.543 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 49' ' ' VAL . 0.4 OUTLIER -64.04 -36.21 83.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.1 tpp -67.84 -36.78 80.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.607 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.407 HD22 ' ND2' ' A' ' 38' ' ' ASN . 14.8 mt -63.8 -35.17 79.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.3 -34.69 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -76.69 -6.44 52.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.84 27.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -67.83 97.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.21 5.22 40.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -105.82 164.45 11.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -98.25 142.94 29.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.605 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.32 161.52 40.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.538 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.627 ' CD ' ' O ' ' A' ' 64' ' ' GLU . 4.5 tm-20 -123.21 103.02 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.533 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.453 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 2.3 m -82.38 127.51 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -119.56 138.42 53.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.16 130.7 31.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.48 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.0 m -123.84 129.64 51.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.648 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.75 161.03 8.56 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -46.5 -45.96 18.32 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.845 2.364 . . . . 0.0 112.088 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' GLU . 60.0 mt-30 -92.77 6.33 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.648 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -36.37 -37.93 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.603 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.535 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 7.2 tp10 -63.5 -50.27 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.6 tm-20 -55.64 -52.8 62.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.593 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.55 -49.95 69.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 76' ' ' LEU . 2.3 tp -64.24 -44.28 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.91 99.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.601 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.49 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.94 -41.92 88.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -64.82 -41.1 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.605 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.469 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -64.22 -37.06 86.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.482 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 82' ' ' LEU . 5.2 mp -72.52 -36.94 68.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.544 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -69.95 -32.91 71.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.628 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 85' ' ' SER . 60.8 m-80 -82.51 -3.6 56.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . 0.488 ' O ' ' OE1' ' B' ' 392' ' ' GLU . 1.7 mp -110.45 134.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.5 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.532 ' CZ ' ' OE2' ' B' ' 392' ' ' GLU . 9.8 mmt180 -68.46 134.86 50.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -146.08 143.7 29.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.404 HD13 ' N ' ' B' ' 174' ' ' LEU . 8.4 mp -80.48 118.55 72.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -72.51 106.41 2.08 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.786 2.324 . . . . 0.0 112.141 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -82.97 -27.41 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' B' ' 366' ' ' ILE . . . -147.01 106.29 3.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.574 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.34 134.64 20.14 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.873 2.382 . . . . 0.0 112.138 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 143.53 165.91 11.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 4.9 m -121.42 139.37 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -144.43 142.13 30.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 3.3 mp -126.55 126.76 69.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -173.77 171.14 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -82.74 162.66 21.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -83.76 130.96 10.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -127.84 132.85 49.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.741 0.305 . . . . 0.0 110.541 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -73.67 136.35 43.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.606 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.64 ' C ' ' H ' ' B' ' 190' ' ' THR . 16.7 t70 -65.54 150.1 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -64.09 15.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.598 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 190' ' ' THR . . . . . 0.64 ' H ' ' C ' ' B' ' 188' ' ' ASP . 78.7 m -105.26 117.75 34.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.527 ' HB3' ' HD2' ' B' ' 192' ' ' PRO . 85.0 mt -138.18 161.27 60.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.618 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' B' ' 191' ' ' LEU . 51.2 Cg_endo -72.92 114.14 3.96 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.89 2.393 . . . . 0.0 112.097 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 2.2 pp -100.06 8.13 44.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 4.3 mmt -71.4 -26.45 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -102.59 -19.6 14.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.588 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -24.18 38.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.521 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.63 152.91 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -118.24 168.46 10.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.588 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -116.62 145.04 43.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.609 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -168.55 142.92 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 40.1 t -110.87 100.24 9.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 1.3 t -159.39 110.65 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.445 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 0.5 OUTLIER -59.64 125.01 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.629 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.83 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 61.3 m-20 -156.87 68.38 4.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.603 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . 0.631 ' O ' ' N ' ' B' ' 209' ' ' ARG . 45.8 Cg_endo -72.06 -50.92 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.802 2.335 . . . . 0.0 112.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -50.65 -49.55 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.502 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 20.1 mt -80.03 -37.37 34.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.467 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.83 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 73.4 mm-40 -75.21 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.569 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . 0.631 ' N ' ' O ' ' B' ' 205' ' ' PRO . 0.0 OUTLIER -44.66 -52.46 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.475 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.08 -39.19 85.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.445 ' HB3' HH21 ' B' ' 211' ' ' ARG . 0.0 OUTLIER -53.63 -38.04 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.06 -53.85 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 27.3 m -54.56 -53.58 52.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.51 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.9 -36.55 88.13 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.52 -41.54 65.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 110.491 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.659 ' O ' ' N ' ' B' ' 220' ' ' ALA . 2.4 tt -55.48 -53.45 56.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.595 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 79.6 mm-40 -52.57 -34.74 51.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.501 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . 0.468 ' CD ' ' O ' ' B' ' 218' ' ' GLU . 0.5 OUTLIER -76.24 -35.34 59.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.18 -51.09 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.659 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.95 -50.68 70.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.459 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.595 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 97.1 m-20 -62.19 -36.38 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.57 ' CD ' HH11 ' B' ' 304' ' ' ARG . 3.0 tt0 -68.37 -40.01 81.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -70.25 -47.66 60.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -59.1 -43.2 91.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.465 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' B' ' 221' ' ' ASN . 6.6 mpt_? -69.7 -34.69 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -49.27 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 227' ' ' SER . . . . . 0.679 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 5.8 p -70.43 -49.59 47.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.549 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -44.62 -29.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.553 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.13 -39.37 25.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.47 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' B' ' 233' ' ' GLY . 3.0 m-85 -56.15 -40.18 73.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.589 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -45.27 -35.41 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -69.34 -23.21 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . 1.021 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -126.79 -101.66 1.19 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 1.021 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -6.21 -133.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.474 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.62 ' HG3' ' HG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -130.47 -166.44 1.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.48 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . 0.451 ' O ' ' HB1' ' B' ' 240' ' ' ALA . 60.6 tttp -82.45 -36.39 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' B' ' 241' ' ' ILE . 12.4 tm-20 -67.12 -46.96 72.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.62 ' HG1' ' HG3' ' B' ' 235' ' ' GLN . 6.1 p -58.25 -39.01 78.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.65 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -82.97 -34.39 26.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' B' ' 236' ' ' LYS . . . -76.58 -30.85 57.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.536 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . 0.835 ' CG2' ' H ' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -68.82 -65.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.591 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.835 ' H ' ' CG2' ' B' ' 241' ' ' ILE . 27.9 m-85 -54.62 -67.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' B' ' 242' ' ' PHE . 21.8 t70 -32.17 -53.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.534 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 88.7 mt -68.05 -34.78 77.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.551 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.62 ' N ' ' O ' ' B' ' 242' ' ' PHE . 6.5 t80 -65.7 -37.08 85.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 64.3 m -49.4 -39.64 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.64 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.664 ' CE1' ' CZ ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -61.2 -33.93 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.628 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.591 ' HB3' ' O ' ' B' ' 245' ' ' TYR . 0.1 OUTLIER -57.11 -41.51 79.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.68 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . 0.582 ' N ' ' CD2' ' B' ' 248' ' ' LEU . 16.4 tp -75.69 -39.09 58.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 250' ' ' SER . . . . . 0.59 ' HG ' ' HA ' ' B' ' 247' ' ' HIS . 95.6 p -68.93 -19.55 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.835 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 42.1 p-10 -50.21 120.0 4.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 26.7 p -52.42 3.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.591 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.714 ' H ' ' C ' ' B' ' 251' ' ' ASP . 0.1 OUTLIER -77.06 -54.52 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 23.8 mt -66.57 -37.04 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.602 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.515 ' NH1' ' CD1' ' B' ' 258' ' ' LEU . 0.0 OUTLIER -59.27 -46.08 89.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . 0.593 ' HE ' ' HA ' ' B' ' 256' ' ' ARG . 3.0 mmp_? -66.58 -40.48 88.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.67 -53.53 30.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.673 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . 0.515 ' CD1' ' NH1' ' B' ' 255' ' ' ARG . 1.1 mt -62.22 -47.55 83.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.672 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . 0.587 ' CD2' ' NH1' ' B' ' 256' ' ' ARG . 12.1 t80 -61.76 -35.13 77.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.693 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.52 98.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.697 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.52 -40.88 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 83.7 t -70.08 -35.31 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.24 -14.3 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -96.63 -17.5 20.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 123.71 16.49 3.35 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 46.7 t -92.45 160.83 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.502 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.42 HG11 ' N ' ' B' ' 268' ' ' ALA . 11.6 t -100.06 148.82 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . 0.42 ' N ' HG11 ' B' ' 267' ' ' VAL . . . -57.34 -45.21 84.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.524 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.62 -44.83 9.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.439 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.85 -39.52 16.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.533 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . . . . . . . . . . . -53.55 -45.86 70.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.605 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.52 ' O ' HG12 ' B' ' 276' ' ' ILE . 21.6 m -65.22 -37.12 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.582 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -68.99 -41.8 77.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 40.5 p -73.18 -50.36 22.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . . . . . . . . . 49.4 t -50.21 -59.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.52 HG12 ' O ' ' B' ' 272' ' ' VAL . 26.9 pt -54.99 -38.73 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.613 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.461 ' N ' HG13 ' B' ' 276' ' ' ILE . 31.8 tt0 -68.63 -39.79 80.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.665 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -69.87 -37.48 76.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 1.5 m-85 -75.12 -35.37 61.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.519 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.16 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.461 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.467 ' N ' ' OE1' ' B' ' 281' ' ' GLU . 0.0 OUTLIER -69.96 -55.55 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.14 -41.51 99.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 279' ' ' PHE . 3.2 m-85 -64.98 -46.29 82.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.603 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.43 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -56.28 -20.58 19.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.58 ' HG ' ' N ' ' B' ' 287' ' ' SER . 23.4 tp -51.9 154.06 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.436 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 287' ' ' SER . . . . . 0.58 ' N ' ' HG ' ' B' ' 286' ' ' LEU . 66.6 m -94.83 -41.83 9.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.705 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 0.3 OUTLIER -60.22 122.71 15.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.611 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -74.07 -27.49 60.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -59.02 -31.81 69.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.15 -40.69 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.538 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.705 ' CB ' ' O ' ' B' ' 288' ' ' ASP . 9.0 tttp -50.64 -46.74 58.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -40.87 69.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.433 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' B' ' 297' ' ' ASP . 0.7 OUTLIER -52.54 -27.67 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -44.59 -44.38 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.479 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -52.21 -38.98 49.92 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . 0.584 ' HB2' ' O ' ' B' ' 294' ' ' ARG . 0.1 OUTLIER -53.27 -42.16 66.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 0.0 110.421 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -49.24 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.414 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -43.18 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.337 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.89 84.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.309 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -38.2 90.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.42 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -57.35 -48.25 81.91 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . 0.773 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.8 OUTLIER -52.86 -39.94 63.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 0.0 110.501 179.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.773 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 10.3 mtp180 -69.11 -39.83 78.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.41 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . 0.484 ' O ' HD23 ' B' ' 309' ' ' LEU . 1.0 OUTLIER -64.33 -44.41 91.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.351 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . 0.46 HD22 ' N ' ' B' ' 306' ' ' LEU . 3.7 mm? -62.77 -38.43 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.364 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . 0.486 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.0 m-85 -70.71 -42.95 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 77.9 m-70 -71.3 -29.83 65.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.467 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . 0.484 HD23 ' O ' ' B' ' 305' ' ' LEU . 0.3 OUTLIER -45.27 -19.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.515 ' C ' ' H ' ' B' ' 312' ' ' ALA . 0.1 OUTLIER -122.24 115.52 22.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.533 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -48.18 -12.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.771 ' O ' ' NE2' ' B' ' 314' ' ' GLN . . . -86.52 -13.89 44.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.611 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.756 ' O ' ' O ' ' B' ' 312' ' ' ALA . 0.0 OUTLIER -16.2 142.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . 0.771 ' NE2' ' O ' ' B' ' 312' ' ' ALA . 0.0 OUTLIER -166.39 164.95 17.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.585 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . 0.782 ' O ' ' N ' ' B' ' 317' ' ' ASN . . . -106.23 87.45 0.52 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . 0.651 ' HD3' ' O ' ' B' ' 314' ' ' GLN . 36.5 Cg_exo -53.47 44.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.797 2.331 . . . . 0.0 112.1 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . 0.782 ' N ' ' O ' ' B' ' 315' ' ' GLY . 21.4 p30 -146.65 -25.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.604 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' B' ' 317' ' ' ASN . . . 57.89 121.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -92.93 109.9 42.33 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -73.21 -169.41 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.852 2.368 . . . . 0.0 112.043 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -65.9 -27.8 68.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.572 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -164.16 149.17 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.675 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -173.22 167.79 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.541 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.51 150.36 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.463 ' O ' HG22 ' B' ' 347' ' ' VAL . 0.8 OUTLIER -89.58 113.95 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.553 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 23.1 t -114.72 102.31 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.629 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -139.23 148.98 43.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -29.72 70.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.515 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.77 135.98 35.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.781 ' H ' ' CD2' ' B' ' 330' ' ' LEU . 2.0 pt? -90.13 138.71 31.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 331' ' ' SER . . . . . 0.526 ' O ' ' OG1' ' B' ' 334' ' ' THR . 6.9 t -144.77 134.74 23.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.576 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.79 -38.13 66.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.12 -47.83 68.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.529 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 334' ' ' THR . . . . . 0.526 ' OG1' ' O ' ' B' ' 331' ' ' SER . 68.7 p -58.35 -48.47 80.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -41.91 72.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.615 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -75.98 8.88 2.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -106.77 -37.82 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.562 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.71 132.35 20.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.633 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.62 124.9 10.24 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.773 2.316 . . . . 0.0 112.119 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.81 -23.25 66.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -37.18 86.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -82.13 -9.56 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 22.2 tp -77.21 116.98 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.556 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.43 18.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . 0.412 ' O ' ' CG2' ' B' ' 346' ' ' VAL . . . 151.36 177.73 25.45 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' B' ' 345' ' ' GLY . 35.7 t -155.69 144.34 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.697 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . 0.463 HG22 ' O ' ' B' ' 325' ' ' LEU . 31.2 m -141.06 131.61 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.672 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . . . . . . . . . 28.4 t -120.59 152.54 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.611 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . 0.608 ' NE ' ' O ' ' B' ' 372' ' ' ALA . 7.4 mmm-85 -92.36 -43.9 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -139.99 93.07 2.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -142.38 155.9 25.9 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' B' ' 354' ' ' ASN . . . -104.36 142.66 34.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.711 0.291 . . . . 0.0 110.599 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.2 10.87 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' B' ' 352' ' ' ALA . 0.3 OUTLIER -120.55 9.42 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.594 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 355' ' ' SER . . . . . 0.456 ' OG ' ' CB ' ' B' ' 358' ' ' ALA . 89.7 p -74.94 169.3 18.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.704 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -62.41 -51.59 66.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.591 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . 0.47 ' O ' ' CG2' ' B' ' 361' ' ' VAL . . . -67.25 -36.85 82.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.553 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . 0.456 ' CB ' ' OG ' ' B' ' 355' ' ' SER . . . -59.74 -42.68 93.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.635 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.407 HG23 ' N ' ' B' ' 360' ' ' MET . 1.9 tt -68.67 -32.21 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.536 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 360' ' ' MET . . . . . 0.407 ' N ' HG23 ' B' ' 359' ' ' ILE . 0.0 OUTLIER -81.06 -29.9 34.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' B' ' 357' ' ' ALA . 91.4 t -66.65 -45.81 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.468 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.404 HH21 ' HD3' ' B' ' 362' ' ' ARG . 14.6 ttp-105 -65.55 -42.58 91.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.56 72.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.623 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 13.7 tp -65.07 -34.0 77.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.32 13.0 56.69 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . 0.979 HG13 ' HD2' ' B' ' 367' ' ' PRO . 3.4 tp -90.44 143.91 30.02 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . 0.979 ' HD2' HG13 ' B' ' 366' ' ' ILE . 54.5 Cg_endo -73.51 127.41 11.74 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.872 2.382 . . . . 0.0 112.146 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 67.3 m -147.39 150.8 35.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.36 151.07 21.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 370' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -133.18 164.25 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.486 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 105.43 0.38 40.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . 0.608 ' O ' ' NE ' ' B' ' 349' ' ' ARG . . . -67.52 117.95 10.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.754 0.311 . . . . 0.0 110.505 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.07 35.33 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . 0.407 HD12 HG21 ' B' ' 374' ' ' ILE . 16.9 mm -104.76 129.43 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.568 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -70.76 116.0 41.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.468 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . 0.528 ' HD3' ' NH2' ' B' ' 349' ' ' ARG . 51.7 Cg_exo -47.9 -34.05 21.36 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.875 2.383 . . . . 0.0 112.102 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 43.7 t -51.28 -45.08 61.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . 0.739 ' O ' ' CD2' ' B' ' 380' ' ' HIS . 61.7 t -77.22 -29.62 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.633 ' O ' ' C ' ' B' ' 380' ' ' HIS . 86.3 mt -70.99 -16.91 62.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.868 ' ND1' ' N ' ' B' ' 381' ' ' ARG . 10.1 p80 18.69 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.868 ' N ' ' ND1' ' B' ' 380' ' ' HIS . 6.9 ptp180 -135.06 24.15 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.88 159.32 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 31.7 m -77.18 131.35 38.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 95.8 mt -121.36 145.8 47.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . 0.498 ' O ' ' CG2' ' B' ' 385' ' ' ILE . 19.7 tt -142.08 106.89 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 2.5 m -100.61 156.45 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.404 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.648 ' O ' ' N ' ' B' ' 391' ' ' GLY . 64.6 t0 -140.64 83.65 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -44.12 -46.5 8.07 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -53.55 -44.76 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . 0.417 ' HB2' ' OD2' ' B' ' 387' ' ' ASP . 4.0 mtm180 -100.21 2.91 43.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 37.87 54.54 1.89 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . 0.532 ' OE2' ' CZ ' ' B' ' 172' ' ' ARG . 9.8 mm-40 -129.85 160.02 34.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.373 . . . . 0.0 110.599 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.94 116.14 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 1.9 mp -114.87 176.73 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.626 ' O ' ' C ' ' B' ' 396' ' ' ASP . 18.3 m -133.74 122.95 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' B' ' 395' ' ' VAL . 2.7 p30 19.31 56.05 0.18 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.528 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.953 ' O ' ' HD3' ' B' ' 399' ' ' PRO . 42.7 Cg_endo -70.92 173.06 12.58 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.869 2.379 . . . . 0.0 112.203 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -45.27 91.29 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . 0.953 ' HD3' ' O ' ' B' ' 397' ' ' PRO . 52.7 Cg_exo -47.6 -32.45 16.11 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.819 2.346 . . . . 0.0 112.193 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . 0.58 ' O ' ' HB2' ' B' ' 403' ' ' GLN . 98.2 t -70.45 -55.21 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.3 -58.7 7.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.03 -17.62 18.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.519 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . 0.58 ' HB2' ' O ' ' B' ' 400' ' ' VAL . 0.4 OUTLIER -63.76 -53.52 49.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . 0.666 ' O ' ' N ' ' B' ' 407' ' ' ARG . 2.5 tt0 -84.54 -49.01 8.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' B' ' 404' ' ' GLU . 0.1 OUTLIER -36.74 -41.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -75.1 -27.96 60.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.666 ' N ' ' O ' ' B' ' 404' ' ' GLU . 36.8 ttp180 -65.46 -47.3 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.601 ' O ' ' N ' ' B' ' 411' ' ' GLU . 0.0 OUTLIER -78.82 -53.72 6.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . 0.412 HD13 HH12 ' B' ' 417' ' ' ARG . 2.8 mm -39.79 -33.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.622 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 87.1 p -91.85 -21.79 20.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.637 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' B' ' 408' ' ' LEU . 2.0 mm-40 -122.34 35.38 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.613 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' B' ' 408' ' ' LEU . 8.4 tt0 -122.5 -103.79 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.628 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 0.82 ' CG2' ' H ' ' B' ' 414' ' ' GLU . 2.5 tp -105.26 -119.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 0.82 ' H ' ' CG2' ' B' ' 413' ' ' ILE . 26.5 tt0 -153.34 -108.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 1.3 tp -125.54 15.49 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 65.1 m -92.34 32.85 1.14 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.644 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' B' ' 419' ' ' ALA . 52.8 ttp180 -134.57 -100.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.678 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 11.6 mt 56.98 6.5 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' B' ' 417' ' ' ARG . . . -89.09 -12.44 41.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 51.53 77.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.573 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . 0.416 ' O ' ' OXT' ' B' ' 424' ' ' ASN . 1.0 OUTLIER 47.56 53.91 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.532 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 421' ' ' ASP . 7.7 p-10 39.0 -134.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.44 -40.56 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.522 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . 0.416 ' OXT' ' O ' ' B' ' 421' ' ' ASP . 1.5 t30 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.628 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.608 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.438 ' O ' ' HG2' ' A' ' 1' ' ' MET . 9.3 t -82.67 159.33 22.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.649 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.644 ' O ' HD11 ' A' ' 76' ' ' LEU . 62.0 t -133.29 120.79 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.459 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -127.85 172.96 10.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -162.39 132.73 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.8 m -78.73 128.91 34.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.714 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.5 t -129.59 124.46 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.461 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -81.06 127.26 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -90.13 105.93 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.0 p -83.41 56.99 3.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.0 m120 63.29 22.77 13.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -163.94 103.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.53 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.665 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 1.6 tp -65.63 -4.61 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.01 -71.19 0.3 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtt -169.26 103.99 0.37 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.807 0.337 . . . . 0.0 110.604 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 51.21 -104.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.21 -4.73 3.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.713 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 2.1 mpt_? -42.89 -58.97 3.36 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.573 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.713 ' HD3' ' HB2' ' A' ' 18' ' ' ARG . 50.4 Cg_exo -48.37 -49.69 13.85 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.878 2.386 . . . . 0.0 112.155 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.595 ' CB ' HD11 ' A' ' 52' ' ' LEU . . . -64.44 -45.15 88.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.504 ' C ' ' SD ' ' A' ' 21' ' ' MET . 12.5 tmm? -66.86 -40.46 87.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.609 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -63.26 -37.73 88.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -50.26 -44.94 53.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -38.3 72.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.643 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.16 -35.1 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD23 ' CE1' ' A' ' 30' ' ' PHE . 95.7 mt -68.19 -40.36 82.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.8 ttm -56.72 -33.21 66.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -81.44 -33.02 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.564 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.93 -35.33 31.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.615 ' CE1' HD23 ' A' ' 26' ' ' LEU . 8.0 m-85 -103.0 156.27 17.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.841 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 61.0 t0 -99.07 95.16 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.685 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 68' ' ' THR . . . 167.65 156.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.13 129.36 47.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.0 t -106.61 134.88 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.601 ' O ' ' OE1' ' A' ' 66' ' ' GLU . 3.1 mp -136.44 137.71 40.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.623 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 8.3 mp -108.76 150.48 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -148.01 134.43 19.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.416 HD21 ' NH2' ' A' ' 61' ' ' ARG . 1.1 t30 -90.33 155.94 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 52.1 p-10 -52.6 -27.56 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.7 OUTLIER -67.75 -10.14 50.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.32 11.98 60.41 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.5 m -85.13 117.07 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.575 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -77.74 103.5 7.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.6 65.17 6.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -40.41 121.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.81 -10.26 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -99.94 28.62 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -146.57 123.09 11.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.428 HG22 ' NH1' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -63.51 -35.47 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.515 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.45 -36.6 74.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.1 -42.31 89.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.595 HD11 ' CB ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -58.72 -39.17 80.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.677 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.11 -34.57 78.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.632 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.541 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 16.0 tpt -70.43 -35.13 73.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.478 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.07 -34.99 79.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.476 ' OD2' HD21 ' B' ' 291' ' ' LEU . 18.5 m-20 -53.44 -34.56 58.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.547 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.442 ' C ' HH11 ' A' ' 61' ' ' ARG . 63.1 m -76.43 -6.7 52.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.17 28.97 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -68.96 97.26 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.486 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.77 4.89 39.34 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.442 HH11 ' C ' ' A' ' 57' ' ' SER . 28.4 mtm180 -104.83 166.45 10.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.362 . . . . 0.0 110.551 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' CD ' ' N ' ' A' ' 62' ' ' GLN . 14.5 mm-40 -99.97 141.26 33.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.627 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.05 162.37 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.91 101.77 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.96 130.05 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.601 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 5.3 mp0 -121.77 140.0 52.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.38 131.09 27.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 87.0 m -121.82 142.17 50.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.525 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 132.15 -175.9 19.59 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.841 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 51.2 Cg_endo -73.13 -37.66 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.811 2.341 . . . . 0.0 112.146 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.499 ' NE2' ' HG2' ' A' ' 70' ' ' PRO . 3.2 mp0 -97.14 2.76 51.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.561 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.752 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 6.2 pm0 -34.88 -40.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.728 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 24.2 tp10 -59.67 -50.5 73.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.51 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' GLN . 31.0 tt0 -57.82 -52.32 65.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.636 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.05 -49.16 72.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.584 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.877 ' O ' HG11 ' A' ' 79' ' ' VAL . 0.8 OUTLIER -65.42 -43.59 90.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.71 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.864 ' O ' HG12 ' A' ' 80' ' ' ILE . . . -62.98 -41.73 99.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.65 99.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.877 HG11 ' O ' ' A' ' 76' ' ' LEU . 1.3 p -66.88 -43.16 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.864 HG12 ' O ' ' A' ' 77' ' ' ALA . 5.4 pt -64.21 -41.07 91.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.462 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.504 ' N ' ' CG1' ' A' ' 80' ' ' ILE . . . -64.7 -35.66 81.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 82' ' ' LEU . 5.0 mp -73.82 -37.27 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.473 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.665 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 11.0 m-30 -70.27 -32.87 70.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.74 ' OD1' ' O ' ' A' ' 80' ' ' ILE . 31.7 m120 -80.81 -7.54 59.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.546 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 13.3 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.589 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . 0.469 ' N ' ' HA ' ' B' ' 394' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 12.7 tt -133.83 153.2 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.546 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -96.71 120.08 36.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.626 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -120.43 159.55 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.488 ' O ' ' HG3' ' B' ' 370' ' ' MET . 3.9 mp -79.23 117.13 65.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.05 112.65 3.47 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.819 2.346 . . . . 0.0 112.099 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . 0.565 ' O ' ' NH2' ' B' ' 362' ' ' ARG . . . -91.96 -33.61 14.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -146.33 111.53 4.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.51 160.75 0.34 Allowed 'Trans proline' 0 C--N 1.303 -1.852 0 C-N-CA 123.002 2.468 . . . . 0.0 112.089 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 119.8 164.28 12.56 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.58 160.19 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -152.3 139.0 18.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 5.7 pt -133.56 121.85 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 173.92 177.47 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -76.54 161.99 28.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.64 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -100.83 144.35 16.61 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -129.2 139.55 51.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -76.64 135.38 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.438 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' B' ' 190' ' ' THR . 8.7 t70 -58.55 141.96 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -70.18 15.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 190' ' ' THR . . . . . 0.565 ' H ' ' C ' ' B' ' 188' ' ' ASP . 98.3 m -89.53 104.16 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.533 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.604 ' HB3' ' HD2' ' B' ' 192' ' ' PRO . 12.6 mt -135.81 163.09 53.0 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.589 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.604 ' HD2' ' HB3' ' B' ' 191' ' ' LEU . 51.5 Cg_endo -72.78 120.11 6.48 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.852 2.368 . . . . 0.0 112.151 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . 0.495 ' CD2' ' OE1' ' B' ' 196' ' ' GLN . 13.4 mt -101.63 1.6 37.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.518 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -41.71 86.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.564 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -101.78 -7.95 22.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.649 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . 0.495 ' OE1' ' CD2' ' B' ' 193' ' ' LEU . 34.3 tt0 -76.35 -20.78 56.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . 0.449 ' C ' ' CD2' ' B' ' 198' ' ' TYR . 33.7 m -104.39 148.65 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . 0.449 ' CD2' ' C ' ' B' ' 197' ' ' VAL . 1.3 p90 -179.57 127.65 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . 0.552 ' HG2' ' H ' ' B' ' 200' ' ' ALA . 3.9 tt0 -144.22 175.23 10.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.491 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . 0.552 ' H ' ' HG2' ' B' ' 199' ' ' GLN . . . -74.48 -166.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.631 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 53.7 m -112.73 94.01 4.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 10.4 t -151.3 121.25 7.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.785 ' CD2' ' H ' ' B' ' 203' ' ' LEU . 1.0 OUTLIER -91.95 139.03 31.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.514 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.658 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -154.29 100.15 2.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 46.1 Cg_endo -72.06 -14.56 29.06 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.809 2.339 . . . . 0.0 111.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -91.12 -54.56 3.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 2.5 tt -71.04 -39.9 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.658 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 3.5 mm-40 -68.42 -50.63 51.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.601 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 32.0 ttm105 -53.67 -56.39 17.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.553 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -45.01 92.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.558 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.526 ' CZ ' HD23 ' B' ' 309' ' ' LEU . 0.6 OUTLIER -56.04 -44.34 78.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.47 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 65.8 mt -71.19 -54.67 10.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.492 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 54.2 m -53.62 -52.44 59.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.555 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -56.36 -35.47 65.96 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.63 -39.86 66.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.528 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' B' ' 220' ' ' ALA . 48.8 mt -57.69 -54.1 50.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 1.4 mp0 -50.99 -32.2 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.517 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.34 -31.25 60.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.556 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -95.13 -48.16 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.604 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.41 -52.19 65.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 88.1 m-20 -64.99 -33.33 75.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.554 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.534 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.6 OUTLIER -65.23 -37.52 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.619 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -47.1 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.529 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 33.6 ttm105 -61.08 -40.5 93.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' B' ' 229' ' ' ARG . 7.0 mtp180 -69.95 -36.27 75.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.463 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.618 ' CE1' ' NH1' ' B' ' 304' ' ' ARG . 0.1 OUTLIER -57.05 -47.66 80.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.589 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 1.4 p -61.82 -48.67 79.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.497 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -42.56 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' B' ' 225' ' ' ARG . 1.5 mtm180 -76.92 -47.53 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.562 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.24 -51.14 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.591 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -56.12 -38.15 70.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.82 -17.28 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.495 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . 0.996 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -131.6 -92.62 0.57 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.996 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -22.6 -125.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.793 0.33 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.582 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 5.9 tt0 -133.02 165.64 24.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.643 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . 0.582 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 49.5 tttt -63.8 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -45.13 -44.55 10.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.633 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.44 ' OG1' ' SD ' ' B' ' 360' ' ' MET . 28.9 m -57.94 -54.04 51.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -55.62 -44.02 76.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.402 ' CB ' ' NH1' ' A' ' 18' ' ' ARG . . . -55.33 -48.17 74.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.648 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 85.1 mt -66.69 -54.37 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.476 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.538 ' N ' ' CD1' ' B' ' 242' ' ' PHE . 7.0 m-30 -58.22 -51.11 71.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -47.43 -37.96 12.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.656 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . 0.534 HD21 ' O ' ' B' ' 244' ' ' LEU . 4.7 tt -68.01 -41.78 81.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.582 ' OH ' ' CG ' ' B' ' 297' ' ' ASP . 22.3 m-30 -71.88 -41.59 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 70.5 m -53.38 -42.53 67.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -76.48 -29.31 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.513 ' CD1' ' NH2' ' B' ' 253' ' ' ARG . 0.3 OUTLIER -72.53 -60.62 2.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.611 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.91 -35.89 64.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 95.9 p -81.46 -13.56 58.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.957 ' C ' ' H ' ' B' ' 253' ' ' ARG . 64.4 t0 -62.48 113.7 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 252' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' B' ' 252' ' ' THR . 0.3 OUTLIER -43.79 9.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.957 ' H ' ' C ' ' B' ' 251' ' ' ASP . 2.9 ttt-85 -81.73 -57.67 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 0.5 OUTLIER -62.37 -42.02 99.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.454 ' HG2' ' CE2' ' B' ' 259' ' ' PHE . 14.7 ttm-85 -60.23 -43.05 96.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . 0.451 ' NH2' ' CB ' ' B' ' 260' ' ' ALA . 0.0 OUTLIER -61.06 -42.19 98.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.464 ' OE1' ' CE1' ' B' ' 279' ' ' PHE . 27.6 mt-10 -57.01 -50.64 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.646 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 254' ' ' LEU . 35.9 mt -57.19 -60.63 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . 0.636 ' N ' ' CD1' ' B' ' 259' ' ' PHE . 3.4 m-30 -53.45 -36.69 61.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . 0.451 ' CB ' ' NH2' ' B' ' 256' ' ' ARG . . . -60.42 -39.8 88.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.623 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.28 -46.05 43.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.18 -46.49 94.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -61.7 -12.75 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -88.14 -20.94 24.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 120.64 24.14 2.66 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 30.4 t -111.44 165.72 11.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.49 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.513 HG12 ' H ' ' B' ' 270' ' ' TRP . 10.2 p -97.88 147.49 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.638 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.11 85.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.415 ' H ' HG23 ' B' ' 267' ' ' VAL . 0.4 OUTLIER -41.39 -52.26 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . 0.513 ' H ' HG12 ' B' ' 267' ' ' VAL . 7.1 m95 -83.96 -32.6 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' B' ' 267' ' ' VAL . . . -58.32 -47.88 82.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . . . . . . . . . 20.5 m -71.14 -36.56 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.572 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -69.04 -44.76 72.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 274' ' ' THR . . . . . 0.606 ' O ' ' N ' ' B' ' 278' ' ' LYS . 98.4 m -72.49 -49.18 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' B' ' 271' ' ' ALA . 79.7 t -57.85 -56.76 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' B' ' 277' ' ' GLU . 2.9 tp -58.11 -40.29 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' B' ' 276' ' ' ILE . 0.4 OUTLIER -76.29 -40.83 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . 0.606 ' N ' ' O ' ' B' ' 274' ' ' THR . 25.0 ttpp -59.9 -39.89 86.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' B' ' 282' ' ' GLN . 2.2 m-85 -79.86 -26.59 40.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -69.36 -13.27 62.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' B' ' 281' ' ' GLU . 0.2 OUTLIER -81.29 -46.32 14.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 279' ' ' PHE . 13.9 pt20 -59.85 -43.51 94.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.625 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.538 ' N ' ' CG ' ' B' ' 282' ' ' GLN . 47.3 m-85 -65.95 -35.06 79.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -76.87 -17.86 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -91.89 -17.17 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.618 ' CD2' ' C ' ' B' ' 286' ' ' LEU . 0.0 OUTLIER -52.34 158.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 287' ' ' SER . . . . . 0.552 ' N ' ' HG ' ' B' ' 286' ' ' LEU . 30.7 t -83.8 -48.83 9.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.64 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.527 ' O ' ' CD2' ' B' ' 286' ' ' LEU . 32.5 t70 -52.23 117.44 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.615 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . 0.49 ' HA ' ' HB3' ' B' ' 292' ' ' LYS . 9.0 t30 -73.37 -41.27 63.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.94 -38.54 56.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' B' ' 294' ' ' ARG . 1.7 mp -87.68 -40.5 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.611 ' CA ' HD21 ' B' ' 286' ' ' LEU . 0.0 OUTLIER -36.46 -40.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.485 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . 0.528 ' OE1' ' HA ' ' B' ' 293' ' ' GLU . 34.4 tp10 -52.5 -39.5 61.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.414 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' B' ' 291' ' ' LEU . 24.9 mtm105 -45.58 -41.93 10.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.319 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -51.13 -47.65 61.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.232 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -59.38 -39.79 95.23 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . 0.582 ' CG ' ' OH ' ' B' ' 245' ' ' TYR . 28.1 m-20 -63.64 -43.48 96.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.288 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.74 -49.22 73.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.236 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -56.78 -41.59 77.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.154 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -70.1 -35.5 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.133 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -43.28 99.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.219 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -56.16 -44.27 88.78 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . 0.793 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -62.77 -40.32 96.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.216 179.707 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.793 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 6.5 ttt180 -62.38 -41.9 99.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.214 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.91 -33.58 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.262 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . 0.633 ' O ' ' OD2' ' B' ' 310' ' ' ASP . 2.3 tt -62.8 -39.62 94.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.52 -42.18 92.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.357 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . 0.476 ' N ' ' ND1' ' B' ' 308' ' ' HIS . 1.7 m80 -75.08 -29.19 60.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.391 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . 0.526 HD23 ' CZ ' ' B' ' 211' ' ' ARG . 0.3 OUTLIER -60.63 -17.36 46.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.52 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.721 ' C ' ' H ' ' B' ' 312' ' ' ALA . 0.0 OUTLIER -115.01 113.57 24.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.584 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -47.9 -2.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.721 ' H ' ' C ' ' B' ' 310' ' ' ASP . . . -68.68 -19.67 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.57 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.641 ' ND2' HD22 ' B' ' 317' ' ' ASN . 3.9 t-20 -160.57 134.3 6.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.635 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -104.03 30.94 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . 0.415 ' HA2' ' CE1' ' B' ' 308' ' ' HIS . . . 109.33 -107.7 2.43 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -72.81 159.65 47.89 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.856 2.371 . . . . 0.0 112.15 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . 0.641 HD22 ' ND2' ' B' ' 313' ' ' ASN . 39.2 m-80 -147.68 -127.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -103.27 97.72 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.521 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -97.6 150.76 37.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.63 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -73.02 157.22 51.37 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.841 2.361 . . . . 0.0 112.137 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -85.64 -14.42 45.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.443 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.0 OUTLIER -139.22 124.1 18.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 176.58 157.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.04 144.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.517 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.426 HD13 ' N ' ' B' ' 326' ' ' VAL . 0.8 OUTLIER -95.86 119.92 35.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . 0.573 HG13 ' HG3' ' B' ' 376' ' ' PRO . 47.2 t -117.11 106.44 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.604 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.86 155.17 50.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 4.8 p-10 -65.8 -26.31 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -151.16 125.0 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.534 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.6 tp -75.19 123.73 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.501 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 331' ' ' SER . . . . . 0.425 ' HG ' HG23 ' B' ' 333' ' ' THR . 69.5 p -125.91 136.81 53.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.552 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -52.18 -40.87 62.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 333' ' ' THR . . . . . 0.516 HG23 ' H ' ' B' ' 334' ' ' THR . 11.9 t -52.42 -43.17 64.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 334' ' ' THR . . . . . 0.516 ' H ' HG23 ' B' ' 333' ' ' THR . 91.5 m -58.95 -50.45 74.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.598 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' B' ' 337' ' ' GLU . 5.7 mp -55.26 -41.96 72.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . 0.591 ' C ' HH22 ' B' ' 304' ' ' ARG . . . -65.54 7.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' B' ' 335' ' ' LEU . 25.8 tt0 -107.87 -39.49 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.479 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.482 ' H ' ' HG ' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -116.4 118.39 37.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -47.28 158.87 0.49 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.83 2.353 . . . . 0.0 112.061 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -69.48 -12.04 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.485 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -70.67 -40.74 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -83.9 -21.19 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.507 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' B' ' 342' ' ' ARG . 34.0 tp -88.22 98.33 11.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.544 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.08 10.07 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -177.07 155.15 17.45 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 16.1 t -138.53 142.75 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.866 0.365 . . . . 0.0 110.465 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 91.5 t -143.86 117.26 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' B' ' 370' ' ' MET . 66.2 t -110.61 149.28 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . 0.427 HH11 ' C ' ' B' ' 374' ' ' ILE . 6.7 mtp-105 -88.69 -39.18 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' B' ' 351' ' ' GLY . 5.3 p-10 -139.19 -102.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . 0.533 ' H ' ' CG ' ' B' ' 350' ' ' ASP . . . 51.82 162.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -86.67 160.49 18.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -86.86 -5.91 58.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.64 -0.39 37.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 355' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' B' ' 358' ' ' ALA . 0.3 OUTLIER -50.1 150.76 2.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.576 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -65.16 -48.71 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.58 92.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . 0.505 ' HB3' ' OG ' ' B' ' 355' ' ' SER . . . -57.06 -40.99 77.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.2 mt -71.27 -32.56 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 360' ' ' MET . . . . . 0.44 ' SD ' ' OG1' ' B' ' 238' ' ' THR . 0.9 OUTLIER -63.85 -51.91 62.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.609 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . 0.442 HG21 ' N ' ' B' ' 362' ' ' ARG . 16.1 m -60.58 -44.34 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.459 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.565 ' NH2' ' O ' ' B' ' 176' ' ' ALA . 11.1 ttm-85 -56.89 -53.28 59.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -66.34 -27.5 67.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 40.6 tp -72.4 -28.93 63.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.474 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.01 33.84 6.77 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 4.0 mt -112.82 125.53 29.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.21 132.43 18.71 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.786 2.324 . . . . 0.0 112.195 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 35.6 m -142.75 134.73 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . 0.411 HG11 ' N ' ' B' ' 370' ' ' MET . 1.5 t -130.06 146.97 33.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.551 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' B' ' 174' ' ' LEU . 0.0 OUTLIER -133.6 157.54 45.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.597 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 102.7 -8.49 54.61 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.2 113.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.522 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -104.37 44.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . 0.43 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 4.9 tp -124.44 140.72 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.426 ' OE1' ' NH1' ' B' ' 349' ' ' ARG . 4.8 mm100 -73.7 112.79 17.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . 0.573 ' HG3' HG13 ' B' ' 326' ' ' VAL . 50.3 Cg_exo -49.0 -25.34 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.775 2.316 . . . . 0.0 112.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 58.5 m -49.85 -32.37 14.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . 0.45 ' O ' ' CE1' ' B' ' 380' ' ' HIS . 3.1 t -85.37 -28.31 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.708 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.713 ' O ' ' O ' ' B' ' 380' ' ' HIS . 4.0 mm? -65.82 -22.88 66.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.713 ' O ' ' O ' ' B' ' 379' ' ' LEU . 3.0 p80 -6.43 -114.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.651 ' N ' ' ND1' ' B' ' 380' ' ' HIS . 7.0 mtt180 -88.14 17.09 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . 0.432 ' HB2' ' CE1' ' B' ' 380' ' ' HIS . 16.3 tpt180 -74.87 144.99 43.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 16.5 m -70.42 123.68 22.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 49.1 tp -116.63 142.53 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.441 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . 0.661 ' O ' HG13 ' B' ' 385' ' ' ILE . 0.1 OUTLIER -139.58 101.97 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . 0.464 ' O ' HD13 ' B' ' 385' ' ' ILE . 29.1 t -92.94 157.23 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' B' ' 391' ' ' GLY . 57.9 t0 -141.61 78.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -40.9 -53.64 3.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . 0.557 ' CE2' ' CD ' ' B' ' 414' ' ' GLU . 73.4 t80 -41.84 -57.03 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.48 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' B' ' 391' ' ' GLY . 4.6 tpp180 -96.18 7.14 47.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.528 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 37.45 54.85 1.68 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.3 156.06 33.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.594 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 3.1 tp -129.94 111.19 12.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.467 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.469 ' HA ' ' N ' ' B' ' 170' ' ' ARG . 52.3 mt -108.01 173.92 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.54 ' O ' ' C ' ' B' ' 396' ' ' ASP . 3.2 p -142.21 120.58 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.54 ' C ' ' O ' ' B' ' 395' ' ' VAL . 1.1 m-20 28.01 58.12 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.55 171.04 17.09 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.812 2.341 . . . . 0.0 112.118 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -56.95 122.25 51.53 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.45 -38.5 27.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.902 2.401 . . . . 0.0 112.088 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . 0.788 HG22 ' H ' ' B' ' 401' ' ' LEU . 2.6 m -60.78 -58.96 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . 0.788 ' H ' HG22 ' B' ' 400' ' ' VAL . 71.8 mt -47.55 -48.87 27.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.495 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.39 -33.45 74.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.533 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.75 -52.0 54.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -62.21 -44.88 95.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.583 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.19 -45.34 11.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -62.34 -39.3 92.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.621 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -74.17 -39.4 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.612 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.62 -47.69 81.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.53 -35.3 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.621 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 9.2 m -58.39 -30.56 66.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' B' ' 412' ' ' GLU . 52.9 tt0 -62.01 -20.41 63.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.474 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . 0.534 ' HB2' ' O ' ' B' ' 411' ' ' GLU . 0.1 OUTLIER 79.66 42.96 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.503 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . . . . . . . . . 3.7 pt -110.69 50.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 0.557 ' CD ' ' CE2' ' B' ' 389' ' ' TYR . 34.7 tt0 -149.01 -79.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.7 8.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.599 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 416' ' ' SER . . . . . 0.485 ' H ' ' C ' ' B' ' 414' ' ' GLU . 37.0 t -111.45 -30.98 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.587 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -124.95 -30.75 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' B' ' 414' ' ' GLU . 4.3 tt 46.44 81.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -153.73 165.46 35.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.43 -11.95 0.47 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.525 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -95.57 -175.06 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 424' ' ' ASN . 37.8 t70 -66.11 98.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.596 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.42 -46.33 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.58 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . 0.482 ' O ' ' OD2' ' B' ' 422' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.629 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -81.92 159.11 23.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.473 ' HB ' ' OE1' ' A' ' 72' ' ' GLU . 73.4 t -133.48 116.8 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.504 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -124.02 173.22 8.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -162.84 133.53 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.486 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 t -79.04 130.51 35.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.6 t -131.25 123.79 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.599 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.17 126.98 31.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.0 mm -90.23 104.54 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.4 57.09 3.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.423 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 62.69 22.72 13.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.491 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.675 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -162.35 101.54 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.524 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.438 HD21 ' H ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.36 -6.57 10.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.51 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.75 -45.89 0.83 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.686 ' O ' ' C ' ' A' ' 16' ' ' HIS . 5.8 tpt -179.47 151.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.722 0.296 . . . . 0.0 110.655 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.686 ' C ' ' O ' ' A' ' 15' ' ' MET . 3.2 t-160 -4.71 -66.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -168.12 2.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.485 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -48.39 -55.49 18.74 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 18' ' ' ARG . 52.6 Cg_exo -47.58 -48.17 16.27 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 122.881 2.388 . . . . 0.0 112.219 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.65 -43.21 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.489 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -41.63 90.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -63.17 -37.87 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -49.23 -45.34 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.575 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.615 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 12.3 m-85 -57.83 -39.53 77.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.562 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.14 -34.91 64.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.575 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.651 ' HG ' ' HD1' ' A' ' 30' ' ' PHE . 5.3 tt -69.19 -39.02 78.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.4 ttp -58.58 -30.09 66.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.5 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.615 ' OE1' ' O ' ' A' ' 24' ' ' PHE . 3.3 mt-30 -83.64 -31.94 25.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.53 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.25 -28.13 41.75 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.77 ' CD1' ' OE1' ' A' ' 74' ' ' GLU . 7.6 m-85 -110.01 148.12 32.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.537 ' H ' ' HG3' ' A' ' 71' ' ' GLN . 60.0 t0 -91.86 99.01 11.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.573 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.752 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 162.99 152.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -98.7 130.5 45.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.725 ' O ' HD13 ' A' ' 35' ' ' LEU . 7.1 p -107.4 131.94 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.725 HD13 ' O ' ' A' ' 34' ' ' VAL . 2.7 mm? -133.12 137.02 46.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 9.5 mp -107.63 150.44 26.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.58 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.438 HH21 ' HD2' ' A' ' 37' ' ' ARG . 17.1 mtm105 -146.63 136.37 23.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.554 ' OD1' ' SD ' ' A' ' 54' ' ' MET . 1.8 m120 -93.15 155.07 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.12 -28.16 16.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.494 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' N ' ' OE2' ' A' ' 40' ' ' GLU . 1.4 mm-40 -68.26 -10.53 55.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.1 11.97 59.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -84.8 116.56 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -77.48 103.76 7.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.442 ' CA ' ' HB3' ' A' ' 51' ' ' ALA . . . -89.76 65.14 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -40.43 121.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.13 -9.65 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -100.45 29.0 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.03 123.23 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.668 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 14.5 p -63.2 -35.52 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.681 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.0 pt -61.5 -37.37 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.58 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HB3' ' CA ' ' A' ' 44' ' ' ALA . . . -65.69 -42.28 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.47 -38.73 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.577 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -65.47 -35.75 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.554 ' SD ' ' OD1' ' A' ' 38' ' ' ASN . 1.9 tmt? -68.73 -36.09 77.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.587 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -35.27 80.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.623 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.99 -34.74 57.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.624 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.4 p -76.69 -6.48 52.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.498 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.19 29.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.567 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -69.2 96.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.539 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.94 4.99 38.83 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -105.87 163.94 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -97.32 143.81 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.0 pt -130.95 162.3 39.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -124.24 100.71 6.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.5 128.45 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -120.73 138.63 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.69 130.3 29.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.558 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.3 m -123.44 128.77 50.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.752 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 142.32 160.7 8.45 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.06 -44.47 23.22 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.87 2.38 . . . . 0.0 112.077 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 1.085 ' HB3' ' HG2' ' A' ' 74' ' ' GLU . 1.7 mm100 -93.27 5.94 49.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.563 ' OE1' ' C ' ' A' ' 72' ' ' GLU . 1.3 pp20? -37.46 -37.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 8.6 tp10 -63.25 -53.34 54.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.479 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 1.085 ' HG2' ' HB3' ' A' ' 71' ' ' GLN . 1.2 pp20? -54.98 -50.17 69.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.999 ' N ' ' OE1' ' A' ' 74' ' ' GLU . . . -55.86 -50.64 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.635 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.73 ' O ' HG12 ' A' ' 79' ' ' VAL . 2.9 tt -64.34 -43.81 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.688 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.45 99.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.635 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.25 96.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.605 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -66.72 -42.02 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.542 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 1.0 OUTLIER -64.68 -41.61 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.51 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.08 86.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.505 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.45 -37.36 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 4.8 m-85 -69.75 -32.23 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.535 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 85' ' ' SER . 14.2 m-20 -82.37 -4.3 57.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.5 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.521 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 91.0 mt -125.65 134.28 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.468 ' CD ' ' H ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -88.11 107.63 18.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -107.48 164.79 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.727 ' O ' ' SD ' ' B' ' 370' ' ' MET . 5.7 mp -80.01 119.1 75.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.59 115.65 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.77 2.314 . . . . 0.0 112.145 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . 0.568 ' CB ' ' SD ' ' B' ' 370' ' ' MET . . . -92.75 -36.66 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.461 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.3 107.6 6.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.6 145.56 9.0 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.9 2.4 . . . . 0.0 112.124 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 136.17 168.59 11.53 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 12.5 p -124.79 139.56 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.498 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -142.21 144.5 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . 0.411 ' O ' HG13 ' B' ' 182' ' ' ILE . 23.1 pt -130.92 129.7 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 173.11 175.58 0.11 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.605 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.02 167.66 21.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.576 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -105.92 128.82 9.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . 0.42 ' CB ' ' CD1' ' B' ' 323' ' ' PHE . 8.8 t90 -115.92 118.31 32.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.483 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -75.65 111.91 11.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -106.86 77.3 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.574 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.689 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -114.29 44.07 1.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.625 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 190' ' ' THR . . . . . 0.689 ' C ' ' O ' ' B' ' 189' ' ' ALA . 19.9 p -9.43 106.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.515 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 12.2 mt -80.7 113.34 39.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -72.51 -173.4 1.15 Allowed 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.859 2.372 . . . . 0.0 112.057 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.58 13.72 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 194' ' ' MET . . . . . 0.444 ' O ' ' CG1' ' B' ' 197' ' ' VAL . 67.8 mtm -72.46 -43.78 63.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.585 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -77.19 -30.36 54.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -89.35 2.41 54.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' B' ' 194' ' ' MET . 9.3 p -67.4 162.3 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.614 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.22 159.77 39.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -80.06 128.16 33.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -158.16 143.6 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.608 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 33.4 t -133.16 102.19 5.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.19 99.74 3.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 8.3 mp -54.1 126.06 21.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.612 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 14.2 p-10 -155.92 49.54 0.42 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.445 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . 0.612 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 53.9 Cg_exo -47.15 -54.42 5.06 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.792 2.328 . . . . 0.0 112.157 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -48.87 -51.16 31.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 10.9 tp -75.97 -34.19 59.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.502 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' B' ' 204' ' ' ASP . 1.8 tp10 -71.77 -65.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.389 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . 0.584 ' HG2' ' N ' ' B' ' 210' ' ' GLU . 0.2 OUTLIER -45.1 -46.87 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . 0.584 ' N ' ' HG2' ' B' ' 209' ' ' ARG . 15.5 tm-20 -64.59 -38.64 91.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.573 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -58.98 -43.69 91.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.548 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -53.04 50.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.568 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 213' ' ' THR . . . . . 0.597 ' O ' ' OE1' ' B' ' 217' ' ' GLU . 36.6 p -50.91 -48.62 60.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.477 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -66.94 -34.34 86.77 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . 0.482 ' CB ' HD23 ' B' ' 309' ' ' LEU . . . -72.6 -45.84 57.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.748 0.308 . . . . 0.0 110.577 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.613 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.8 OUTLIER -59.57 -50.3 74.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.597 ' OE1' ' O ' ' B' ' 213' ' ' THR . 1.2 mp0 -52.94 -31.85 42.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.492 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' B' ' 222' ' ' GLU . 2.4 tp10 -77.13 -33.55 56.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.458 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.29 -49.09 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -58.58 -49.07 78.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 74.5 m-20 -67.43 -31.63 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.698 ' HG3' ' CE1' ' B' ' 226' ' ' TYR . 40.9 tt0 -67.79 -39.3 84.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.17 -39.27 75.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.45 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . 0.469 HH21 ' HD2' ' B' ' 224' ' ' ARG . 43.6 ttm105 -69.79 -38.15 76.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . 0.53 ' HD3' ' O ' ' B' ' 221' ' ' ASN . 22.8 mtp180 -81.93 -33.76 30.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.464 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.698 ' CE1' ' HG3' ' B' ' 222' ' ' GLU . 3.3 m-85 -68.45 -49.81 57.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 227' ' ' SER . . . . . 0.635 ' CB ' ' CG ' ' B' ' 242' ' ' PHE . 51.4 p -62.05 -31.47 71.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.46 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . 0.402 ' HB2' ' HZ2' ' B' ' 228' ' ' LYS . 0.7 OUTLIER -54.6 -46.64 73.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.46 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 226' ' ' TYR . 5.0 ptm180 -77.87 -43.0 31.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.488 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . 0.423 ' N ' ' HG3' ' B' ' 229' ' ' ARG . 0.6 OUTLIER -51.62 -60.25 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -46.89 -41.8 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.45 -25.26 65.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.476 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -96.18 -46.53 2.59 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -91.3 -156.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.596 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.424 ' NE2' ' OE1' ' B' ' 237' ' ' GLU . 13.7 pt20 -98.46 -176.85 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.637 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 240' ' ' ALA . 14.3 mttm -61.05 -33.72 73.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.424 ' OE1' ' NE2' ' B' ' 235' ' ' GLN . 88.5 tt0 -42.79 -43.28 3.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.663 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.561 ' O ' ' CG1' ' B' ' 241' ' ' ILE . 4.6 m -69.67 -44.99 69.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.694 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . 0.483 ' HA ' ' HD2' ' B' ' 242' ' ' PHE . . . -71.88 -14.78 62.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 236' ' ' LYS . . . -82.94 -35.25 26.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . 0.854 HG13 ' H ' ' B' ' 242' ' ' PHE . 8.6 pt -72.28 -62.24 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.904 ' CG ' ' N ' ' B' ' 243' ' ' ASP . 0.1 OUTLIER -48.59 -62.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.904 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 12.2 t0 -38.36 -43.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -61.21 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.502 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.563 ' CZ ' ' HB3' ' B' ' 297' ' ' ASP . 8.3 m-85 -59.85 -45.13 93.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 246' ' ' SER . . . . . 0.463 ' N ' ' O ' ' B' ' 242' ' ' PHE . 36.2 t -41.33 -44.09 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.515 ' NE2' ' CZ ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -70.26 -29.82 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.575 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.567 ' CD2' HH11 ' B' ' 253' ' ' ARG . 2.7 tm? -62.14 -59.59 4.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . 0.497 ' O ' HD13 ' B' ' 216' ' ' LEU . 67.6 mt -54.39 -44.0 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 77.3 p -69.9 -24.2 63.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.75 ' C ' ' H ' ' B' ' 253' ' ' ARG . 31.7 t0 -53.44 124.64 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.644 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 2.8 m -55.86 8.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.75 ' H ' ' C ' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -82.28 -37.9 25.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.533 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 3.8 mm? -78.39 -37.22 44.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.663 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -69.7 -44.28 70.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.665 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' B' ' 260' ' ' ALA . 34.6 ptt180 -66.41 -40.54 89.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' B' ' 256' ' ' ARG . 19.5 mt-10 -63.34 -48.29 78.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 254' ' ' LEU . 12.6 mt -61.53 -61.5 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' B' ' 256' ' ' ARG . . . -62.07 -41.65 98.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.25 -42.09 99.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.21 -33.18 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -20.41 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.68 -21.15 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.38 20.07 2.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 73.6 m -89.92 151.67 21.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.693 0.282 . . . . 0.0 110.683 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.469 HG12 ' H ' ' B' ' 269' ' ' GLU . 54.3 t -99.95 144.8 11.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . 0.45 ' H ' ' CD ' ' B' ' 208' ' ' GLU . . . -44.22 -29.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.556 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.469 ' H ' HG12 ' B' ' 267' ' ' VAL . 1.8 mp0 -59.12 -53.99 52.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' B' ' 274' ' ' THR . 0.4 OUTLIER -81.42 -30.23 33.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.582 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.487 ' O ' HG21 ' B' ' 275' ' ' VAL . . . -58.09 -54.56 45.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.493 ' O ' HG12 ' B' ' 276' ' ' ILE . 16.4 m -64.9 -37.11 79.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -73.92 -47.46 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.485 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 274' ' ' THR . . . . . 0.401 ' N ' ' O ' ' B' ' 270' ' ' TRP . 97.8 m -61.63 -55.18 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.529 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.487 HG21 ' O ' ' B' ' 271' ' ' ALA . 77.8 t -48.37 -63.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.546 HG13 ' N ' ' B' ' 277' ' ' GLU . 31.2 pt -53.88 -41.33 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.546 ' N ' HG13 ' B' ' 276' ' ' ILE . 50.3 tp10 -66.12 -44.8 83.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -61.84 -37.24 83.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . 0.448 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 1.2 m-85 -72.69 -31.01 64.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.67 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.1 79.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.669 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -75.75 -46.06 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.613 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -60.51 -40.27 90.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.451 ' CZ ' HD13 ' B' ' 298' ' ' LEU . 3.8 m-85 -59.47 -46.76 87.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.639 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . 0.656 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -59.39 -45.46 91.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -29.99 -41.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.656 ' O ' ' O ' ' B' ' 284' ' ' ALA . 6.1 mp -74.95 166.81 23.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 66.6 m -115.41 -14.4 11.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -42.91 135.19 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.659 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . 0.613 ' CG ' ' H ' ' B' ' 290' ' ' TYR . 23.8 p-10 -57.66 -60.88 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.468 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . 0.761 ' HH ' HH21 ' B' ' 294' ' ' ARG . 55.4 t80 -53.67 -25.39 17.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.702 HD13 ' N ' ' B' ' 292' ' ' LYS . 1.2 tm? -70.29 -63.5 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.477 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.702 ' N ' HD13 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -37.9 -39.78 0.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.13 -43.34 53.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.283 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.761 HH21 ' HH ' ' B' ' 290' ' ' TYR . 12.6 tpt180 -49.76 -44.5 48.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -57.97 -48.63 79.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.178 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -58.69 -39.65 93.79 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . 0.563 ' HB3' ' CZ ' ' B' ' 245' ' ' TYR . 1.4 m-20 -65.01 -41.85 94.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.391 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' B' ' 283' ' ' PHE . 0.5 OUTLIER -56.32 -46.05 80.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.361 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . 0.547 ' NH1' ' N ' ' B' ' 303' ' ' GLN . 2.1 tpm_? -56.7 -45.76 81.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.159 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.79 95.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.311 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . 0.408 HD11 ' CG ' ' B' ' 245' ' ' TYR . 0.5 OUTLIER -66.52 -40.53 89.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.205 179.729 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.21 -44.14 97.73 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . 0.547 ' N ' ' NH1' ' B' ' 299' ' ' ARG . 1.3 tm0? -55.0 -38.81 68.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.268 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.514 ' NE ' ' OE1' ' B' ' 222' ' ' GLU . 0.0 OUTLIER -66.03 -37.66 86.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.348 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.26 -40.0 93.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.311 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.61 -37.55 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.475 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -45.02 86.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.398 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -73.96 -23.88 59.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.482 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . 0.482 HD23 ' CB ' ' B' ' 215' ' ' ALA . 0.6 OUTLIER -65.04 -21.56 66.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.449 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -133.89 64.5 1.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -47.8 -28.67 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.623 ' C ' ' H ' ' B' ' 314' ' ' GLN . . . -58.19 -36.43 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.623 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.547 ' ND2' ' C ' ' B' ' 313' ' ' ASN . 0.0 OUTLIER -68.23 29.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.646 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . 0.623 ' H ' ' C ' ' B' ' 312' ' ' ALA . 5.0 tp-100 -179.94 132.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.673 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -102.54 -120.73 4.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.5 -27.51 7.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.893 2.395 . . . . 0.0 112.037 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 53.73 51.82 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -96.63 127.03 42.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.57 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.44 ' CD1' ' N ' ' B' ' 319' ' ' TRP . 0.5 OUTLIER -94.79 153.89 39.97 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.572 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -47.63 177.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.868 2.379 . . . . 0.0 112.174 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' B' ' 321' ' ' GLU . 0.9 OUTLIER -74.4 -51.68 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.507 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 7.6 ptm180 -155.64 158.92 39.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.61 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.507 ' HB3' ' O ' ' B' ' 322' ' ' ARG . 50.5 p90 171.83 170.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.561 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . 0.438 HG22 ' N ' ' B' ' 325' ' ' LEU . 88.6 mt -97.81 147.38 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' B' ' 325' ' ' LEU . 2.6 tm? -85.9 118.34 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 25.7 t -117.64 103.47 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -139.63 148.37 42.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.468 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 43.6 p30 -63.64 -31.67 72.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.484 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.582 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 15.8 tm-20 -143.61 128.56 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.601 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.466 ' O ' ' OE2' ' B' ' 329' ' ' GLU . 58.2 mt -83.98 118.95 24.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.612 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 37.2 t -115.16 134.95 54.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.16 -38.12 65.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.62 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 10.9 p -61.98 -38.71 89.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.8 m -61.07 -52.82 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.598 ' C ' ' H ' ' B' ' 337' ' ' GLU . 1.3 mp -55.51 -34.08 64.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.537 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.5 16.64 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.626 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.598 ' H ' ' C ' ' B' ' 335' ' ' LEU . 94.8 mt-10 -122.36 -46.48 2.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.736 ' HB2' ' NE ' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -95.18 114.4 63.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.458 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.67 145.88 8.81 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.822 2.348 . . . . 0.0 112.117 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -71.05 -14.15 62.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.667 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -67.17 -45.32 77.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.736 ' NE ' ' HB2' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -77.3 -18.56 57.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.649 HD22 ' H ' ' B' ' 345' ' ' GLY . 3.0 tt -73.77 114.15 11.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 13.9 t -121.76 8.54 5.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . 0.649 ' H ' HD22 ' B' ' 343' ' ' LEU . . . 177.11 171.07 40.29 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 43.5 t -150.1 142.56 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 56.7 t -145.41 123.96 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.499 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 0.4 OUTLIER -117.05 156.02 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.634 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . 0.41 ' N ' HG21 ' B' ' 348' ' ' VAL . 8.5 ttt85 -90.81 -53.08 4.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.791 ' O ' ' N ' ' B' ' 352' ' ' ALA . 9.9 p30 -132.18 -15.81 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . -52.82 63.01 0.0 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . 0.791 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -42.36 174.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' B' ' 355' ' ' SER . . . -59.97 -34.01 72.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.505 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 353' ' ' ALA . 0.7 OUTLIER -38.1 -32.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 355' ' ' SER . . . . . 0.419 ' N ' ' O ' ' B' ' 353' ' ' ALA . 72.9 m -57.63 143.9 39.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.593 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -48.07 78.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.477 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.57 -44.56 85.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.531 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.15 76.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.07 -33.36 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.538 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 51.0 mtm -82.67 -24.4 33.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.436 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 84.9 t -67.76 -49.89 65.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.411 ' NH1' ' CB ' ' B' ' 353' ' ' ALA . 0.2 OUTLIER -67.31 -34.46 77.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.67 -24.23 62.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.17 -21.9 55.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.25 33.59 6.81 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . 0.616 ' CG2' ' HD2' ' B' ' 367' ' ' PRO . 38.7 mt -114.88 141.51 26.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.597 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . 0.616 ' HD2' ' CG2' ' B' ' 366' ' ' ILE . 51.1 Cg_endo -72.99 129.38 14.18 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.794 2.329 . . . . 0.0 112.05 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 68.3 m -138.71 144.75 39.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.586 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.27 137.23 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.727 ' SD ' ' O ' ' B' ' 174' ' ' LEU . 0.0 OUTLIER -121.3 159.25 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 100.97 -7.02 57.01 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.95 109.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -98.23 32.85 2.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.76 123.89 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.518 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 2.1 mp0 -57.23 140.26 78.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.4 -22.38 21.67 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.826 2.351 . . . . 0.0 112.18 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 96.0 p -60.39 -32.35 71.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 58.4 t -83.21 -32.69 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.587 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.687 ' O ' ' N ' ' B' ' 381' ' ' ARG . 86.5 mt -66.6 -28.68 68.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.596 ' C ' ' O ' ' B' ' 379' ' ' LEU . 22.4 t-80 22.44 -83.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.611 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.687 ' N ' ' O ' ' B' ' 379' ' ' LEU . 10.6 ptp85 -145.5 25.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -67.98 174.44 3.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 30.4 m -77.34 124.36 27.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.0 130.49 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 97.1 mt -130.7 97.34 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.526 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 31.5 m -103.63 160.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.544 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.663 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.8 t0 -141.3 83.35 1.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.574 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -43.5 -46.13 6.98 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' B' ' 389' ' ' TYR . 0.0 OUTLIER -50.95 -52.97 37.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.506 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . 0.407 HH22 ' HB2' ' B' ' 424' ' ' ASN . 27.5 ttt85 -94.82 -0.33 54.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.556 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 45.52 49.56 11.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -121.06 157.8 29.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.543 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 5.5 tt -129.84 118.35 21.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 85.6 mt -107.34 159.24 16.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.588 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.592 ' O ' ' C ' ' B' ' 396' ' ' ASP . 76.4 t -130.6 114.66 28.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.1 OUTLIER 22.77 60.36 0.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -72.51 167.29 27.44 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.791 2.327 . . . . 0.0 112.098 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -47.15 117.45 4.78 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -46.91 -33.82 15.1 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.832 2.355 . . . . 0.0 112.194 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 98.2 t -66.79 -55.79 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 10.0 tp -54.74 -47.02 74.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 68.1 tp -62.89 -34.56 77.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -62.82 -47.95 81.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.531 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.73 -43.46 75.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -50.26 -49.65 52.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.596 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . 0.435 ' O ' HG23 ' B' ' 409' ' ' ILE . 13.6 tt0 -61.18 -32.3 72.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.405 ' HA ' ' HG ' ' B' ' 410' ' ' SER . 0.7 OUTLIER -73.46 -35.31 65.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.53 -49.25 67.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . 0.435 HG23 ' O ' ' B' ' 406' ' ' GLN . 12.0 tt -61.45 -39.73 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.557 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 410' ' ' SER . . . . . 0.405 ' HG ' ' HA ' ' B' ' 407' ' ' ARG . 86.5 p -65.24 -34.93 79.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' B' ' 412' ' ' GLU . 7.9 tp10 -67.67 -23.84 65.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' B' ' 411' ' ' GLU . 0.1 OUTLIER 79.7 47.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.573 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' B' ' 413' ' ' ILE . 8.1 tp -94.17 30.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.558 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 0.792 ' O ' ' N ' ' B' ' 416' ' ' SER . 4.5 pt-20 -136.56 -108.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . 0.606 ' O ' ' C ' ' B' ' 416' ' ' SER . 2.0 pp -22.55 -36.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 416' ' ' SER . . . . . 0.792 ' N ' ' O ' ' B' ' 414' ' ' GLU . 0.7 OUTLIER -20.48 -51.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.649 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' B' ' 415' ' ' LEU . 1.6 mpp_? -92.05 -81.32 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . 0.841 ' H ' ' CD1' ' B' ' 418' ' ' LEU . 0.0 OUTLIER -76.29 -176.26 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.612 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -109.8 90.23 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . 0.477 ' O ' ' OD1' ' B' ' 422' ' ' ASP . 1.5 mp0 51.96 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.672 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' B' ' 420' ' ' GLU . 0.2 OUTLIER 40.38 -162.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' B' ' 420' ' ' GLU . 2.6 m-20 67.81 -137.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.479 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.77 -79.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.551 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . 0.407 ' HB2' HH22 ' B' ' 390' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.589 ' HG1' HG22 ' A' ' 68' ' ' THR . 2.1 t -84.01 158.79 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.493 ' HB ' ' OE1' ' A' ' 72' ' ' GLU . 85.9 t -132.69 119.48 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.631 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -127.39 172.05 10.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -161.44 134.74 6.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.539 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.588 ' OG1' ' NE2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -79.6 129.34 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.665 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.1 t -129.9 123.62 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -80.47 126.38 31.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.423 HD12 HG22 ' A' ' 9' ' ' ILE . 85.1 mt -89.85 104.84 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.0 p -82.89 58.77 4.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.421 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m120 61.53 22.44 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' C ' ' H ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -162.55 101.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.477 ' CD2' ' H ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.74 3.43 1.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.489 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.624 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 119.46 62.97 0.27 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.595 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.8 OUTLIER 81.08 -162.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 110.436 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 23.2 t-80 -53.25 -102.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.556 ' N ' ' CG ' ' A' ' 16' ' ' HIS . . . -132.02 -1.38 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.474 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -40.21 -53.56 5.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.624 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 51.2 Cg_exo -48.22 -51.71 9.6 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.805 2.336 . . . . 0.0 112.115 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.12 96.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.662 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.502 ' SD ' HD11 ' B' ' 244' ' ' LEU . 0.2 OUTLIER -67.66 -41.4 83.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.498 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -62.98 -37.08 85.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.19 -46.57 54.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.526 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.65 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -55.35 -39.23 69.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -74.31 -33.45 63.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.491 HD22 ' CE1' ' A' ' 30' ' ' PHE . 84.9 mt -67.74 -44.19 78.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.498 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.9 mtp -54.73 -33.9 61.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.556 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.65 ' OE1' ' O ' ' A' ' 24' ' ' PHE . 5.7 mp0 -78.92 -33.74 45.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.95 -35.13 31.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CE1' HD22 ' A' ' 26' ' ' LEU . 13.9 m-30 -102.09 159.06 15.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 0.0 110.515 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.869 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -102.12 92.09 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.555 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 170.76 158.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.538 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -102.34 128.01 49.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.676 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.04 134.92 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.538 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.551 ' CD2' ' HE ' ' A' ' 37' ' ' ARG . 3.6 tp -136.5 135.62 38.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 4.1 mp -106.22 150.82 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.551 ' HE ' ' CD2' ' A' ' 35' ' ' LEU . 23.2 mtt180 -147.39 135.19 21.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.537 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.428 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 11.4 m120 -91.85 155.94 17.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -52.94 -28.19 22.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 6.7 mp0 -67.76 -11.04 57.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.518 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.49 11.82 59.05 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 38' ' ' ASN . 30.5 p -84.53 116.82 23.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.717 0.294 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -77.91 103.15 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.547 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.29 65.52 7.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.639 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -40.67 120.96 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.581 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.69 -9.82 10.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -100.18 28.23 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.92 123.38 11.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.57 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 50' ' ' ILE . 2.2 p -63.45 -35.87 74.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.421 ' O ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -61.7 -37.02 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.603 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.62 91.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.584 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.33 -38.16 79.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.619 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -65.81 -36.17 82.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.445 ' N ' ' CD2' ' A' ' 53' ' ' LEU . 3.2 tpp -67.93 -35.76 78.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.09 -35.38 80.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -53.03 -34.95 58.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.446 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.5 p -76.43 -6.8 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.96 29.4 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -69.65 97.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.599 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.85 5.17 38.9 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.417 HH21 ' HD2' ' A' ' 61' ' ' ARG . 6.9 mmm180 -106.4 165.0 11.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.588 ' NE2' ' OG1' ' A' ' 6' ' ' THR . 55.0 tt0 -97.33 143.81 27.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.673 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -130.56 161.85 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.472 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.673 ' N ' HG13 ' A' ' 63' ' ' ILE . 5.6 mm-40 -124.32 101.07 6.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.35 129.26 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -121.48 139.47 53.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.9 130.57 27.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.601 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.589 HG22 ' HG1' ' A' ' 2' ' ' THR . 5.9 p -121.62 141.29 51.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.555 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 133.15 -177.15 19.16 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.869 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.9 Cg_endo -72.16 -37.14 4.92 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.863 2.375 . . . . 0.0 112.18 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' GLU . 50.9 mm-40 -98.26 3.6 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.596 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.562 ' CD ' ' N ' ' A' ' 73' ' ' GLU . 1.3 pp20? -36.07 -41.79 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.562 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 17.1 pt-20 -58.62 -49.3 77.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 11.9 tp10 -58.91 -51.9 68.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.53 -49.43 72.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.841 ' O ' HG13 ' A' ' 79' ' ' VAL . 1.7 tt -64.68 -44.05 91.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.505 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.14 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.7 98.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.841 HG13 ' O ' ' A' ' 76' ' ' LEU . 1.0 OUTLIER -66.63 -42.32 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.539 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -64.65 -41.57 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.453 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.466 ' N ' HG21 ' A' ' 80' ' ' ILE . . . -63.31 -36.77 84.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.513 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.0 -37.58 66.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.443 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -69.67 -32.02 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.671 ' O ' ' HB2' ' A' ' 85' ' ' SER . 80.4 m-20 -82.29 -5.69 58.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.671 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 71.6 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.59 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . 0.409 HH21 ' HD3' ' B' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 70.6 mt -89.6 118.23 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -57.51 128.7 38.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.533 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -142.38 157.6 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.589 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.57 112.8 34.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.76 116.75 4.84 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.912 2.408 . . . . 0.0 112.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -90.04 -33.84 16.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.472 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.03 109.17 7.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.34 145.1 8.74 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.853 2.368 . . . . 0.0 112.051 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 131.98 171.92 12.94 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 9.8 p -129.06 145.06 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -138.36 140.93 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 182' ' ' ILE . 25.1 pt -128.4 129.52 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.473 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 171.77 174.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . 0.47 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 25.6 mp0 -72.69 161.17 31.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.619 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -104.29 122.58 7.41 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -118.48 133.07 56.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . 0.535 ' O ' ' NE2' ' B' ' 187' ' ' GLN . 0.0 OUTLIER -67.35 132.45 47.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 189' ' ' ALA . 50.3 t0 -57.94 136.5 57.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.457 ' N ' ' OD1' ' B' ' 188' ' ' ASP . . . -57.46 -13.82 4.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.482 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 12.7 m -62.68 105.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.403 ' HB3' ' HD2' ' B' ' 192' ' ' PRO . 7.2 mt -130.4 158.75 73.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' B' ' 191' ' ' LEU . 47.9 Cg_endo -72.61 129.78 15.09 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.85 2.367 . . . . 0.0 112.07 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . 0.722 ' H ' ' CD1' ' B' ' 193' ' ' LEU . 0.0 OUTLIER -92.36 11.6 25.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 11.9 tpp -69.56 -38.93 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -96.8 -17.72 20.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -65.73 -38.69 89.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.564 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . 0.488 ' O ' ' HB2' ' B' ' 198' ' ' TYR . 5.4 p -61.34 144.25 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . 0.488 ' HB2' ' O ' ' B' ' 197' ' ' VAL . 1.3 t80 172.33 84.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -131.49 168.28 17.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -70.42 -167.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 20.0 t -118.21 89.21 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 17.8 m -144.19 123.17 12.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.593 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.495 ' C ' ' OD1' ' B' ' 204' ' ' ASP . 0.8 OUTLIER -87.56 145.06 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.613 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.938 ' O ' ' CB ' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -154.32 98.19 2.55 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -71.97 -21.47 24.31 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.884 2.39 . . . . 0.0 112.102 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -94.41 -62.26 1.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.02 -37.32 87.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.938 ' CB ' ' O ' ' B' ' 204' ' ' ASP . 1.7 tp10 -68.92 -59.22 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -49.75 -53.54 24.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.01 -39.88 87.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.403 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.521 HH22 ' CD ' ' B' ' 269' ' ' GLU . 2.3 ttt180 -55.57 -39.92 71.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -49.6 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.387 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 52.2 m -53.42 -50.16 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.474 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.45 -37.37 94.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.74 66.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 110.393 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.9 tt -61.46 -50.85 71.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.477 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 68.4 mm-40 -54.36 -38.63 66.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.394 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.14 -34.49 66.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.472 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -84.59 -48.25 9.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.503 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -60.34 -49.23 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 89.3 m-20 -61.7 -36.9 82.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.609 ' OE2' ' CD1' ' B' ' 226' ' ' TYR . 2.6 tm-20 -67.25 -34.6 77.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.412 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.76 -40.0 72.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.442 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . 0.6 ' NE ' ' OG ' ' B' ' 246' ' ' SER . 81.6 mtt85 -59.77 -43.9 94.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.501 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . 0.417 ' O ' ' HD3' ' B' ' 229' ' ' ARG . 0.6 OUTLIER -73.28 -35.46 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.676 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.2 OUTLIER -57.43 -58.07 9.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.411 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 227' ' ' SER . . . . . 0.636 ' CB ' ' CB ' ' B' ' 242' ' ' PHE . 98.1 p -61.76 -48.26 81.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.476 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -49.49 -40.97 39.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.39 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' B' ' 225' ' ' ARG . 0.7 OUTLIER -67.96 -42.37 81.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . 0.67 ' O ' ' N ' ' B' ' 234' ' ' ALA . 3.4 m-85 -67.98 -42.16 81.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.61 -38.86 70.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.29 -13.49 2.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . 0.967 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -148.31 -65.64 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.967 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -28.83 -125.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.56 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.516 HE21 ' HG3' ' B' ' 360' ' ' MET . 0.0 OUTLIER -139.61 175.01 9.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -68.79 -20.71 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -54.65 -47.3 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.445 ' O ' HG23 ' B' ' 241' ' ' ILE . 4.6 p -71.07 -44.41 65.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -58.57 -41.86 86.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.26 77.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.52 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . 0.662 HG23 ' N ' ' B' ' 242' ' ' PHE . 1.7 tt -63.5 -50.13 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.603 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.678 ' CG ' ' N ' ' B' ' 243' ' ' ASP . 0.0 OUTLIER -52.23 -57.67 8.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.678 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -43.35 -42.15 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.514 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . 0.554 ' O ' HD21 ' B' ' 244' ' ' LEU . 7.0 tt -75.57 -38.89 58.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.618 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -48.24 81.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 246' ' ' SER . . . . . 0.6 ' OG ' ' NE ' ' B' ' 224' ' ' ARG . 1.4 t -50.67 -46.08 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' B' ' 244' ' ' LEU . 0.0 OUTLIER -68.61 -32.32 72.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.611 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 65.2 tp -66.98 -49.05 66.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . 0.422 ' O ' HD11 ' B' ' 216' ' ' LEU . 8.3 mt -70.55 -40.21 73.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 83.7 p -79.8 -1.23 37.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.716 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 0.1 OUTLIER -65.99 125.03 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.559 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -1.66 2.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.55 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.659 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 20.1 mmm180 -78.24 -45.94 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . 0.639 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 2.0 tp -80.73 -33.03 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.439 HH21 ' HD3' ' B' ' 255' ' ' ARG . 21.8 ttp180 -63.26 -49.25 74.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.744 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' B' ' 257' ' ' GLU . 9.5 ptm180 -64.93 -38.55 91.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' B' ' 256' ' ' ARG . 13.1 mt-10 -52.56 -51.11 61.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.605 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' B' ' 254' ' ' LEU . 1.2 mt -58.31 -56.08 26.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . 0.58 ' CD2' ' N ' ' B' ' 259' ' ' PHE . 6.1 m-30 -57.2 -34.17 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.46 94.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.592 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' B' ' 264' ' ' LYS . 7.3 mm-40 -71.11 -43.57 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.638 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.48 -39.57 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.33 -11.19 5.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' B' ' 261' ' ' GLU . 0.8 OUTLIER -95.76 -17.23 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.547 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 117.94 17.96 5.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 57.1 m -97.99 159.24 15.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.65 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.42 146.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.619 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' B' ' 269' ' ' GLU . . . -54.97 -49.71 70.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.521 ' CD ' HH22 ' B' ' 211' ' ' ARG . 4.0 mp0 -38.09 -52.74 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.629 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -75.55 -43.33 49.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.473 ' O ' ' CG1' ' B' ' 275' ' ' VAL . . . -58.15 -44.89 88.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.601 ' O ' HG12 ' B' ' 276' ' ' ILE . 95.1 t -60.08 -37.31 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . 0.586 ' O ' ' CG ' ' B' ' 277' ' ' GLU . 17.9 ttpt -82.94 -33.47 26.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.7 m -70.89 -53.93 13.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.63 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.72 HG12 ' H ' ' B' ' 276' ' ' ILE . 7.2 p -51.97 -58.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.72 ' H ' HG12 ' B' ' 275' ' ' VAL . 1.8 pp -60.08 -44.25 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.587 ' H ' HG13 ' B' ' 276' ' ' ILE . 39.8 mm-40 -59.26 -42.82 92.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -67.05 -35.03 78.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -75.91 -24.72 55.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.556 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.13 82.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.5 -28.99 30.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -62.96 -45.54 91.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 6.7 m-30 -69.58 -40.24 76.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.576 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -58.0 -47.04 84.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.63 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -32.94 -31.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 284' ' ' ALA . 1.7 mm? -77.32 178.25 7.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.465 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 83.7 p -121.87 -6.78 9.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.622 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' B' ' 292' ' ' LYS . 77.5 m-20 -68.33 108.77 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -60.92 -30.36 70.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -55.32 -42.41 73.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.27 -43.88 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.579 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.635 ' N ' ' O ' ' B' ' 288' ' ' ASP . 15.2 tttp -48.65 -52.49 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.94 -40.94 95.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -56.39 -28.25 58.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' B' ' 298' ' ' LEU . . . -42.47 -45.92 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.407 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -43.15 -35.02 2.33 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -58.81 -38.95 79.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.47 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' B' ' 295' ' ' ALA . 0.8 OUTLIER -50.18 -53.15 29.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.488 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . 0.444 ' HD2' ' C ' ' B' ' 299' ' ' ARG . 5.3 tmm_? -53.12 -42.67 66.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.303 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -68.98 -34.62 75.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.302 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.93 -45.01 83.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.412 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -57.36 -40.92 92.78 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -37.54 83.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.35 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.455 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 1.7 tpt180 -65.98 -41.62 90.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.342 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' B' ' 309' ' ' LEU . 0.5 OUTLIER -70.79 -39.98 72.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.391 179.744 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . 0.596 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.8 OUTLIER -63.19 -41.05 99.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.322 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -62.63 -45.47 92.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.301 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -76.0 -21.33 57.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.357 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 10.2 tp -64.65 -19.01 65.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.577 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.596 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 3.5 m-20 -108.96 116.56 32.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -11.75 34.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.557 ' O ' ' O ' ' B' ' 313' ' ' ASN . . . -87.93 -11.38 47.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.576 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.557 ' O ' ' O ' ' B' ' 312' ' ' ALA . 81.3 m-20 55.13 130.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.67 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -123.36 164.98 17.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.512 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 49.84 69.52 1.03 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -72.8 159.03 49.28 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.771 2.314 . . . . 0.0 112.088 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -104.23 -48.25 3.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . 0.965 ' O ' ' HD3' ' B' ' 320' ' ' PRO . . . 65.42 96.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.655 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' B' ' 319' ' ' TRP . 0.4 OUTLIER -36.74 86.41 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . 0.965 ' HD3' ' O ' ' B' ' 318' ' ' ALA . 46.0 Cg_endo -71.96 -174.24 1.29 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.83 2.353 . . . . 0.0 112.136 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' B' ' 322' ' ' ARG . 17.9 pt-20 -95.21 -53.63 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.442 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.692 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 9.2 ptm180 -166.6 135.48 2.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.692 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 56.3 m-85 -159.79 165.8 31.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.596 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 78.0 mt -107.76 138.6 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.567 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 21.8 tp -83.99 118.23 23.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . 0.455 ' O ' ' HB3' ' B' ' 376' ' ' PRO . 10.9 t -123.6 87.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -120.53 142.25 49.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . 0.486 ' O ' ' OD1' ' B' ' 350' ' ' ASP . 3.0 p-10 -58.38 -29.29 65.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.589 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -144.22 117.03 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.454 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 19.8 tp -85.63 129.29 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.647 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 27.8 t -134.54 141.79 46.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.24 -40.12 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 77.5 m -56.17 -44.88 79.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 79.5 p -71.47 -54.95 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' B' ' 337' ' ' GLU . 1.1 tt -49.74 -37.92 31.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . 0.676 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -71.95 13.85 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' B' ' 335' ' ' LEU . 37.4 tt0 -99.45 -34.6 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' B' ' 338' ' ' LEU . 0.3 OUTLIER -112.05 151.71 43.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -72.87 141.73 33.98 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.802 2.335 . . . . 0.0 112.117 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -66.59 -14.35 62.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.554 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.781 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 38.9 p-10 -62.13 -44.04 97.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.598 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.781 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 0.1 OUTLIER -80.52 -24.86 39.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.569 HD21 ' H ' ' B' ' 345' ' ' GLY . 6.2 tt -67.39 105.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' B' ' 344' ' ' VAL . 33.5 t -115.44 16.38 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.637 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . 0.569 ' H ' HD21 ' B' ' 343' ' ' LEU . . . 170.25 160.45 18.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 34.9 t -145.67 143.87 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.317 . . . . 0.0 110.604 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 4.2 p -162.48 133.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.478 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.412 ' CG2' ' HG3' ' B' ' 370' ' ' MET . 10.9 m -123.88 163.01 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -89.37 -48.69 7.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.504 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.613 ' O ' ' C ' ' B' ' 351' ' ' GLY . 3.6 p30 -121.84 -23.2 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.5 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . 0.613 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . -19.4 132.47 0.01 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -78.93 134.37 36.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.571 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.03 -19.65 64.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -94.39 6.8 47.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 84.3 p -70.14 164.98 23.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.584 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -45.18 92.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.53 68.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.613 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.75 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 46.2 pt -76.71 -21.29 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 360' ' ' MET . . . . . 0.516 ' HG3' HE21 ' B' ' 235' ' ' GLN . 7.4 ttt -63.17 -55.94 20.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . 0.519 HG21 ' H ' ' B' ' 362' ' ' ARG . 4.2 m -66.88 -41.69 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.519 ' H ' HG21 ' B' ' 361' ' ' VAL . 11.6 ttm-85 -54.31 -51.37 64.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.674 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -72.76 -22.83 60.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.541 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 32.9 tp -71.74 -29.62 64.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.66 25.2 18.76 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 3.8 mm -106.52 124.04 36.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -47.73 130.68 19.23 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.749 2.3 . . . . 0.0 112.148 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 97.1 m -146.02 143.01 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.513 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . 0.585 ' O ' ' SD ' ' B' ' 370' ' ' MET . 2.3 t -124.8 150.98 29.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.585 ' SD ' ' O ' ' B' ' 369' ' ' VAL . 0.0 OUTLIER -130.28 155.79 45.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.621 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 90.46 2.51 73.17 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -49.48 109.59 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 110.507 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -91.03 55.74 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -143.98 130.48 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.484 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -68.08 133.46 91.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . 0.455 ' HB3' ' O ' ' B' ' 326' ' ' VAL . 51.0 Cg_endo -72.83 -27.56 14.51 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.82 2.347 . . . . 0.0 112.128 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 83.7 p -71.98 -14.83 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.64 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 47.6 t -100.45 0.24 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.529 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' B' ' 380' ' ' HIS . 3.7 mm? -104.44 4.1 32.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.637 ' C ' ' O ' ' B' ' 379' ' ' LEU . 6.6 t-160 15.79 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' B' ' 379' ' ' LEU . 35.8 ptt180 -144.98 29.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -66.36 169.69 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 93.9 m -77.01 129.19 35.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.609 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 7.3 mt -127.43 142.98 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 83.2 mt -130.39 102.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.59 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 22.7 t -95.0 132.04 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' B' ' 391' ' ' GLY . 67.5 t0 -124.56 88.04 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -58.61 -35.89 82.94 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -49.7 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -90.88 -13.36 33.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 59.46 61.93 6.72 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.29 170.12 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.616 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.8 127.04 45.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.519 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.559 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 5.6 mt -112.26 159.93 18.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.709 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 48.2 t -133.8 119.78 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.577 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.6 OUTLIER 22.47 52.72 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.709 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 52.1 Cg_endo -72.41 157.86 52.36 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.904 2.403 . . . . 0.0 112.132 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . 0.6 ' OE2' HD13 ' B' ' 401' ' ' LEU . 7.4 pt-20 -45.98 142.32 3.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.74 -6.45 19.16 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.868 2.379 . . . . 0.0 112.154 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 43.1 t -74.64 -39.09 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.588 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . 0.6 HD13 ' OE2' ' B' ' 398' ' ' GLU . 5.8 mp -61.29 -48.35 81.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.562 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' B' ' 402' ' ' LEU . 3.4 mm? -62.46 -36.14 81.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -55.77 -62.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.34 -44.61 65.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -50.37 61.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -60.64 -35.96 77.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -76.87 -32.48 57.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.539 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' B' ' 411' ' ' GLU . 50.4 tp -75.0 -44.4 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.593 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 6.1 mm -58.07 -42.4 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 91.2 p -73.79 -16.2 61.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' B' ' 408' ' ' LEU . 4.9 tt0 -58.5 -74.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 179.56 41.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . . . . . . . . . 37.1 mm -108.78 53.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.53 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' B' ' 415' ' ' LEU . 0.8 OUTLIER -129.48 104.38 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . 0.541 ' O ' ' C ' ' B' ' 416' ' ' SER . 6.6 mt -28.31 -45.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 416' ' ' SER . . . . . 0.541 ' C ' ' O ' ' B' ' 415' ' ' LEU . 40.6 t -28.5 -43.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.525 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . 0.666 ' O ' ' N ' ' B' ' 419' ' ' ALA . 0.0 OUTLIER -129.67 -2.91 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.605 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 53.82 -73.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.567 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' B' ' 417' ' ' ARG . . . -151.88 143.6 23.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.487 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -93.86 60.65 2.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.547 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -141.16 -179.23 5.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.619 ' C ' ' H ' ' B' ' 424' ' ' ASN . 41.7 t0 -82.52 179.76 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . 0.43 ' H ' ' CG ' ' B' ' 422' ' ' ASP . 2.3 t -58.1 2.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.519 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . 0.619 ' H ' ' C ' ' B' ' 422' ' ' ASP . 3.5 m120 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.469 ' HG2' ' H ' ' A' ' 2' ' ' THR . 2.5 ttm . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.469 ' H ' ' HG2' ' A' ' 1' ' ' MET . 5.1 t -83.19 160.7 21.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.558 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.565 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 3.0 p -134.91 118.88 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -126.36 173.86 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.623 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.699 ' CD ' ' O ' ' A' ' 5' ' ' GLN . 3.9 pp0? -161.98 135.64 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.9 m -82.56 125.83 31.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.62 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.522 ' HB ' HE22 ' A' ' 5' ' ' GLN . 1.0 OUTLIER -126.68 125.05 66.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.497 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.522 ' OE1' ' OE1' ' A' ' 62' ' ' GLN . 4.4 mm-40 -81.46 124.89 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.806 HG21 ' H ' ' A' ' 60' ' ' GLY . 15.7 tt -88.52 105.74 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.718 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.5 OUTLIER -82.68 54.0 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 65.27 24.08 12.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.689 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -163.8 96.8 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.69 ' CD1' ' HG2' ' A' ' 19' ' ' PRO . 2.1 pp -61.42 -2.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 151.92 -135.59 5.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.874 0.369 . . . . 0.0 110.468 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.564 ' C ' ' H ' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -166.73 78.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.456 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.624 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 70.73 -16.29 0.34 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.52 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.856 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.9 mtp180 -60.82 -37.41 44.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.856 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 30.9 Cg_endo -66.74 -39.48 15.13 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.711 2.274 . . . . 0.0 111.988 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.703 ' CB ' HD12 ' A' ' 52' ' ' LEU . . . -71.11 -36.81 72.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.437 ' SD ' HD13 ' B' ' 244' ' ' LEU . 10.2 tpt -76.21 -38.35 56.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -64.39 -34.56 78.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -43.69 64.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.654 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 18.7 m-85 -58.25 -35.48 71.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.453 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.91 -34.93 57.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.647 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.903 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 38.1 mt -69.48 -38.7 77.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.651 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.837 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 5.8 ttt -59.65 -29.42 68.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.632 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -86.45 -29.01 23.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.56 -25.95 37.32 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.903 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.4 p90 -118.96 136.18 54.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.644 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 42.0 m-20 -78.33 111.15 14.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.613 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.788 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 155.76 147.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.44 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -97.81 127.98 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.734 ' O ' HD12 ' A' ' 35' ' ' LEU . 55.2 t -106.34 132.15 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.455 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 34' ' ' VAL . 2.7 mm? -132.83 138.31 47.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 mt -108.59 150.22 27.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.532 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.4 HH21 ' HD3' ' A' ' 37' ' ' ARG . 16.2 ttp-105 -149.02 135.15 19.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.596 HD21 HH11 ' A' ' 61' ' ' ARG . 5.3 m120 -91.92 155.95 17.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 49.3 p-10 -52.72 -26.79 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 30.7 tt0 -68.41 -9.84 51.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.23 12.04 60.46 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.3 m -85.42 116.87 23.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 110.568 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.9 103.55 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.6 65.44 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -40.73 121.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.586 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.591 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.06 -10.22 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -99.66 27.84 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.67 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.8 123.79 12.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.67 -35.83 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.478 HG12 ' N ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -61.67 -36.62 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.478 ' N ' HG12 ' A' ' 50' ' ' ILE . . . -65.59 -43.03 90.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.703 HD12 ' CB ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -58.42 -39.27 79.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 53' ' ' LEU . 7.7 mp -64.12 -36.27 83.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.593 ' O ' ' SD ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -68.71 -36.27 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.643 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.3 -35.43 80.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.567 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.479 ' C ' ' OD2' ' B' ' 288' ' ' ASP . 73.6 m-20 -53.0 -35.1 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.587 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -76.16 -6.78 52.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.638 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.713 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -83.2 29.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.11 97.37 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.806 ' H ' HG21 ' A' ' 9' ' ' ILE . . . 105.16 6.35 39.48 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.596 HH11 HD21 ' A' ' 38' ' ' ASN . 0.9 OUTLIER -106.37 165.71 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.648 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.522 ' OE1' ' OE1' ' A' ' 8' ' ' GLU . 8.2 mm-40 -99.03 143.08 29.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.495 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.2 pt -130.84 163.09 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.638 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -124.55 100.71 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 46.5 t -80.58 127.32 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.531 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -120.0 138.3 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 3' ' ' VAL . . . -137.11 131.35 32.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.555 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.69 129.14 49.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.648 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.569 ' HA3' ' HB2' ' A' ' 32' ' ' ALA . . . 142.28 161.32 8.72 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -46.55 -45.72 18.93 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.791 2.328 . . . . 0.0 112.201 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' GLU . 25.6 mt-30 -93.07 5.25 52.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.569 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 15.8 pt-20 -35.97 -37.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -63.5 -49.01 75.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.654 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -57.38 -51.76 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.527 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.91 -49.89 70.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -64.86 -43.78 91.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.39 99.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.49 99.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.35 -42.17 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.653 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -65.02 -41.23 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.554 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.518 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -64.27 -35.47 80.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.508 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -73.42 -37.93 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.9 m-30 -70.07 -32.52 70.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 80' ' ' ILE . 72.2 m-80 -81.43 -6.75 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.555 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 48.6 mm -118.89 132.0 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -86.77 107.47 18.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . 0.643 ' CB ' ' O ' ' B' ' 370' ' ' MET . . . -115.96 150.25 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.46 118.63 55.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.18 102.0 1.3 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.825 2.35 . . . . 0.0 112.119 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . 0.522 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -72.1 -24.91 61.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -155.11 135.31 8.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.583 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -72.68 144.87 40.38 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.798 2.332 . . . . 0.0 112.115 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 143.16 152.17 5.61 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 43.9 t -115.76 134.42 59.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.718 0.294 . . . . 0.0 110.585 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -153.0 150.65 29.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 1.8 pp -127.01 131.44 70.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -169.7 178.89 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.631 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . 0.522 ' CD ' ' N ' ' B' ' 184' ' ' GLU . 0.3 OUTLIER -96.26 162.06 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -78.82 138.82 21.37 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -146.65 147.05 30.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.742 0.306 . . . . 0.0 110.603 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -104.63 135.64 45.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -62.11 152.99 31.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.411 ' O ' ' CD2' ' B' ' 191' ' ' LEU . . . -85.15 -3.36 58.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.55 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.9 103.87 16.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.619 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.607 ' HB2' ' HD2' ' B' ' 192' ' ' PRO . 1.3 pt? -132.67 163.51 50.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.598 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.607 ' HD2' ' HB2' ' B' ' 191' ' ' LEU . 53.6 Cg_endo -73.23 129.89 14.57 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.776 2.318 . . . . 0.0 112.126 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . 0.444 ' N ' ' CD2' ' B' ' 193' ' ' LEU . 4.5 mm? -110.89 16.6 21.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.481 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 63.0 mtm -65.52 -39.72 92.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.502 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 52.6 mp0 -82.42 6.38 17.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . 0.425 HE22 HD22 ' B' ' 313' ' ' ASN . 0.7 OUTLIER -112.79 1.39 15.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . . . . . . . . . 5.3 m -93.4 133.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -91.96 153.27 19.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -88.67 128.83 35.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.578 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -131.43 173.9 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 3.4 m -161.28 90.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.621 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.2 120.84 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.646 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 2.1 mt -46.75 114.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.599 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 24.6 p-10 -153.41 63.36 4.53 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . 0.607 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 44.8 Cg_endo -71.97 -43.9 1.07 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.836 2.357 . . . . 0.0 112.137 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.02 81.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . 0.511 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 10.1 mp -79.18 -44.54 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 68.8 mm-40 -71.63 -56.13 6.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.644 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . 0.607 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 4.1 tmt_? -43.65 -52.39 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -68.74 -33.12 73.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.468 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.656 ' NE ' ' CD1' ' B' ' 309' ' ' LEU . 40.4 ttt180 -55.62 -45.19 77.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 9.5 mt -66.67 -49.68 65.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.461 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 213' ' ' THR . . . . . 0.418 ' OG1' ' CZ ' ' B' ' 255' ' ' ARG . 95.4 m -56.3 -52.27 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.42 -37.54 93.36 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -73.02 -44.51 60.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.741 0.305 . . . . 0.0 110.478 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' B' ' 220' ' ' ALA . 39.3 mt -59.56 -57.69 11.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.53 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.542 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 0.7 OUTLIER -49.81 -32.2 13.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . 0.523 ' N ' ' HG3' ' B' ' 217' ' ' GLU . 29.9 tt0 -79.18 -31.67 43.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -89.51 -50.55 6.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.47 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.03 -49.55 73.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.522 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' B' ' 225' ' ' ARG . 73.8 m-20 -63.82 -34.79 78.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.493 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.431 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 5.7 tm-20 -70.39 -31.89 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.538 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -58.17 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . 0.527 ' NH1' ' OD1' ' B' ' 221' ' ' ASN . 14.0 ptt180 -65.83 -26.21 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . 0.708 ' HE ' HH12 ' B' ' 229' ' ' ARG . 20.0 mmm-85 -74.32 -44.21 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' B' ' 222' ' ' GLU . 0.2 OUTLIER -67.58 -44.36 78.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.492 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 227' ' ' SER . . . . . 0.451 ' HB3' ' HB3' ' B' ' 242' ' ' PHE . 90.1 p -59.85 -48.72 80.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.465 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -39.69 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . 0.708 HH12 ' HE ' ' B' ' 225' ' ' ARG . 1.1 mpp_? -69.81 -41.77 74.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.53 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . 0.538 ' O ' ' N ' ' B' ' 234' ' ' ALA . 0.1 OUTLIER -65.17 -42.17 93.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.404 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -54.24 -36.31 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.488 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.3 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -123.54 -60.78 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -58.67 -163.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 110.629 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.55 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 0.0 OUTLIER -94.39 -170.45 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . 0.55 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 60.1 tttp -75.38 -38.69 59.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.449 ' CG ' ' NE2' ' B' ' 235' ' ' GLN . 2.1 mt-10 -40.51 -53.43 2.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.538 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 238' ' ' THR . . . . . . . . . . . . . 21.8 p -50.99 -56.73 11.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' B' ' 243' ' ' ASP . . . -57.87 -46.97 84.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.546 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.683 ' O ' ' OD1' ' B' ' 243' ' ' ASP . . . -61.83 -37.64 85.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.629 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 55.9 mt -73.9 -55.43 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.669 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' B' ' 245' ' ' TYR . 10.3 m-85 -61.63 -63.19 1.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.683 ' OD1' ' O ' ' B' ' 240' ' ' ALA . 7.9 p-10 -36.27 -40.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . 0.631 ' N ' ' OD1' ' B' ' 243' ' ' ASP . 18.8 tp -71.16 -41.58 70.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.626 ' O ' ' HB2' ' B' ' 248' ' ' LEU . 0.4 OUTLIER -65.29 -40.65 94.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.681 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 29.1 t -47.55 -42.3 23.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' B' ' 251' ' ' ASP . 15.6 t60 -68.51 -24.87 64.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.626 ' HB2' ' O ' ' B' ' 245' ' ' TYR . 4.3 mp -65.29 -51.06 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.82 -43.96 97.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 20.4 p -83.99 -6.72 59.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.682 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' B' ' 247' ' ' HIS . 39.9 t0 -49.17 109.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.646 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.89 -17.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.591 HH21 ' HB2' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -75.73 -55.07 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -47.19 86.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.717 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.477 HH12 ' NE ' ' B' ' 209' ' ' ARG . 12.8 ttt85 -57.49 -47.27 82.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . 0.625 ' HE ' ' HA ' ' B' ' 256' ' ' ARG . 1.1 tpm_? -51.88 -42.06 62.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -60.17 -45.32 93.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.12 -46.56 86.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . 0.467 ' O ' ' CD1' ' B' ' 259' ' ' PHE . 2.7 t80 -66.11 -34.56 78.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.647 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.97 95.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.18 -37.93 89.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . 0.411 HG11 ' HB2' ' B' ' 208' ' ' GLU . 53.5 t -65.02 -38.32 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.25 -11.52 22.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -90.99 -21.1 21.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 118.11 18.25 5.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.7 p -99.87 163.3 12.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.506 ' O ' ' HB1' ' B' ' 271' ' ' ALA . 12.1 p -100.51 148.11 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.49 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' B' ' 269' ' ' GLU . . . -52.09 -53.23 44.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.531 ' OE1' ' NH2' ' B' ' 211' ' ' ARG . 1.5 mp0 -36.01 -53.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.484 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . 0.46 ' H ' HG12 ' B' ' 267' ' ' VAL . 4.3 m95 -83.32 -38.22 22.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.492 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' B' ' 267' ' ' VAL . . . -51.95 -53.65 38.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.614 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.405 ' O ' ' HB ' ' B' ' 276' ' ' ILE . 12.1 m -64.53 -32.49 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.51 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -72.16 -47.79 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.56 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 94.1 m -63.42 -59.29 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . . . . . . . . . 76.4 t -50.92 -57.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' B' ' 272' ' ' VAL . 72.5 mt -54.38 -44.18 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.35 -38.76 88.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -64.07 -36.66 84.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.595 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -35.25 77.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.53 81.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.63 -37.33 79.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.11 -44.61 88.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.551 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -54.18 -47.0 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.655 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.36 84.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -40.5 -38.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.16 151.33 43.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.596 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.23 -45.29 11.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.648 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.526 ' HB3' ' CG ' ' B' ' 291' ' ' LEU . 0.4 OUTLIER -41.36 130.3 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . 0.518 ' ND2' ' N ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -77.34 -41.11 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.489 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . 0.825 ' O ' ' OE2' ' B' ' 293' ' ' GLU . 19.3 t80 -39.94 -27.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.493 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.618 ' O ' ' N ' ' B' ' 294' ' ' ARG . 0.0 OUTLIER -95.84 -49.12 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' B' ' 291' ' ' LEU . 47.9 mttm -31.2 -50.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.387 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . 0.825 ' OE2' ' O ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -65.73 -41.37 92.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.444 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' B' ' 291' ' ' LEU . 0.4 OUTLIER -52.85 -35.12 57.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.442 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -46.16 -46.13 17.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.42 -40.88 24.03 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . 0.536 ' HB3' ' CZ ' ' B' ' 245' ' ' TYR . 5.6 m-20 -63.66 -38.25 90.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.409 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -48.5 75.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.351 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . 0.548 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 0.2 OUTLIER -51.06 -36.8 41.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.338 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' B' ' 303' ' ' GLN . . . -65.36 -36.45 84.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.402 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 3.1 tt -52.52 -48.47 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.367 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . 0.656 ' O ' HD12 ' B' ' 306' ' ' LEU . . . -60.29 -41.35 98.32 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . 0.852 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.4 OUTLIER -70.03 -43.23 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.449 179.751 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.852 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 4.1 mmm180 -65.14 -41.64 94.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.42 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.67 -35.81 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.41 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . 0.656 HD12 ' O ' ' B' ' 302' ' ' GLY . 9.4 mt -64.21 -39.48 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.44 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . 0.672 ' O ' ' CD1' ' B' ' 307' ' ' PHE . 0.1 OUTLIER -67.17 -37.87 84.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.46 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . 0.755 ' ND1' ' O ' ' B' ' 304' ' ' ARG . 42.8 m80 -75.51 -28.19 59.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.48 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . 0.656 ' CD1' ' NE ' ' B' ' 211' ' ' ARG . 0.1 OUTLIER -83.62 -10.05 58.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.938 ' O ' ' N ' ' B' ' 312' ' ' ALA . 38.9 t0 -133.84 71.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.572 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.28 5.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.938 ' N ' ' O ' ' B' ' 310' ' ' ASP . . . -111.41 12.47 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' B' ' 310' ' ' ASP . 2.6 m120 -115.38 93.64 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' B' ' 313' ' ' ASN . 0.0 OUTLIER 178.21 119.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -57.53 -173.3 0.29 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' B' ' 318' ' ' ALA . 52.3 Cg_endo -73.27 -28.56 12.38 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.722 2.281 . . . . 0.0 112.132 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 51.82 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . 0.794 ' O ' ' HD3' ' B' ' 320' ' ' PRO . . . 61.12 105.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.451 ' C ' ' O ' ' B' ' 318' ' ' ALA . 0.4 OUTLIER -35.5 89.32 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.555 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . 0.794 ' HD3' ' O ' ' B' ' 318' ' ' ALA . 44.0 Cg_endo -71.51 176.83 7.51 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.826 2.35 . . . . 0.0 112.083 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -93.18 -48.17 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.65 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 10.6 ptm85 -164.95 151.79 10.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.65 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 26.1 m-85 -171.64 171.31 5.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' B' ' 184' ' ' GLU . 0.0 OUTLIER -116.19 139.92 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.441 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 2.1 tp -78.83 119.42 22.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 82.3 t -118.79 95.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.523 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -137.13 169.86 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 46.3 p30 -82.62 -26.37 32.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 19.2 tt0 -148.92 127.46 12.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.835 ' H ' ' CD2' ' B' ' 330' ' ' LEU . 1.5 pt? -80.72 131.93 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.517 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 331' ' ' SER . . . . . 0.533 ' O ' ' OG1' ' B' ' 334' ' ' THR . 47.7 t -138.39 140.35 39.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.69 92.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.487 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 333' ' ' THR . . . . . 0.525 ' HG1' ' HG ' ' B' ' 331' ' ' SER . 40.5 p -54.55 -44.01 72.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.569 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 334' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' B' ' 331' ' ' SER . 33.2 p -64.96 -48.83 72.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.576 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' B' ' 337' ' ' GLU . 95.1 mt -58.57 -32.85 69.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -66.59 5.75 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' B' ' 335' ' ' LEU . 4.8 mm-40 -99.9 -39.66 8.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.516 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 5.4 mt -107.29 151.42 40.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' B' ' 341' ' ' ASP . 51.2 Cg_endo -73.0 137.82 27.24 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.855 2.37 . . . . 0.0 112.127 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . 0.587 ' CD ' ' O ' ' B' ' 340' ' ' GLN . 25.3 tm0? -66.0 -2.1 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' B' ' 339' ' ' PRO . 9.0 m-20 -74.54 -39.55 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.458 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.441 HH21 ' HD3' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -85.06 -17.86 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.46 101.09 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.515 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 27.9 m -118.3 17.33 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.598 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 168.81 153.08 8.09 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 6.7 t -139.24 150.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.578 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . 0.447 HG12 ' O ' ' B' ' 347' ' ' VAL . 7.3 p -157.83 124.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.482 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.633 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 21.6 m -124.52 161.4 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . 0.491 ' HD2' HH21 ' B' ' 349' ' ' ARG . 8.4 ttm180 -83.66 -38.74 21.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.472 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.806 ' O ' ' O ' ' B' ' 351' ' ' GLY . 0.0 OUTLIER -133.32 -72.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.645 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . 0.806 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 43.37 129.71 0.0 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.45 147.06 49.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.384 . . . . 0.0 110.447 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -91.88 -17.15 25.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -101.27 0.78 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 77.8 p -65.71 149.67 49.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . 0.46 ' NE2' ' OD1' ' B' ' 297' ' ' ASP . 19.4 pt20 -55.07 -38.26 67.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.63 90.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.37 82.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 3.4 mm -68.55 -31.88 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 37.1 ttp -65.3 -41.4 94.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 1.5 t -63.48 -41.73 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -59.42 -39.93 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -78.21 -27.76 47.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.42 -34.42 78.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.51 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 91.77 20.44 37.04 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . 0.688 HG13 ' HD2' ' B' ' 367' ' ' PRO . 2.4 tp -107.56 138.66 20.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 110.633 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . 0.688 ' HD2' HG13 ' B' ' 366' ' ' ILE . 54.8 Cg_endo -73.63 138.6 26.88 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.777 2.318 . . . . 0.0 112.158 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 85.4 m -146.32 144.7 29.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.527 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 2.2 m -125.38 154.29 33.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.643 ' O ' ' CB ' ' B' ' 173' ' ' ALA . 10.2 mtp -131.83 161.24 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.637 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 97.67 -5.33 62.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -51.46 111.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 48.9 p-10 -102.53 55.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.545 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 6.4 mt -130.09 135.6 60.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.557 ' N ' ' OE1' ' B' ' 375' ' ' GLN . 0.4 OUTLIER -73.65 118.08 66.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.605 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.1 -20.84 2.41 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.848 2.365 . . . . 0.0 112.162 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 46.5 t -57.13 -46.81 82.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 4.0 p -74.54 -34.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' B' ' 381' ' ' ARG . 3.1 mt -62.14 -29.81 70.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.522 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.6 ' C ' ' O ' ' B' ' 379' ' ' LEU . 2.8 m-70 22.7 -86.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.516 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' B' ' 379' ' ' LEU . 64.0 mtm-85 -139.38 24.59 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . 0.456 ' NH2' ' OD2' ' B' ' 396' ' ' ASP . 13.2 mmt180 -65.08 164.55 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 6.2 m -80.58 126.04 30.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.626 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 394' ' ' LEU . 0.5 OUTLIER -131.71 116.16 16.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.574 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 385' ' ' ILE . 9.6 pt -101.04 115.4 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.599 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 88.6 t -94.85 139.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' B' ' 391' ' ' GLY . 52.5 t0 -133.28 85.88 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.533 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.45 -44.32 28.45 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -52.45 -46.07 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.532 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -95.16 -6.11 42.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 46.27 59.93 4.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.98 171.29 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.66 128.5 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.516 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.529 ' O ' HD23 ' B' ' 384' ' ' LEU . 1.3 mt -112.21 157.55 20.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.67 ' O ' ' C ' ' B' ' 396' ' ' ASP . 8.8 p -114.55 123.59 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.478 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.67 ' C ' ' O ' ' B' ' 395' ' ' VAL . 48.1 p-10 -3.76 74.3 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.662 ' N ' ' O ' ' B' ' 395' ' ' VAL . 39.6 Cg_endo -70.29 -167.29 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.847 2.365 . . . . 0.0 112.181 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.69 135.98 95.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.538 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.2 -35.76 20.62 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.74 2.294 . . . . 0.0 112.189 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' B' ' 401' ' ' LEU . 11.9 p -63.79 -44.09 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.584 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . 0.446 ' N ' ' CG1' ' B' ' 400' ' ' VAL . 74.5 mt -60.82 -41.9 96.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.67 -38.84 87.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -65.43 -58.83 4.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' B' ' 408' ' ' LEU . 4.2 tp10 -55.13 -42.16 72.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -47.06 -53.29 12.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.56 -36.27 83.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' B' ' 411' ' ' GLU . 12.3 ttp85 -75.07 -30.12 60.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.539 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 404' ' ' GLU . 7.4 tp -64.35 -48.15 76.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.67 -41.18 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.664 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 93.0 p -81.9 -13.88 56.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 407' ' ' ARG . 80.1 tt0 -46.64 -69.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 414' ' ' GLU . 0.4 OUTLIER -167.2 -39.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.618 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 0.573 ' H ' ' CD1' ' B' ' 413' ' ' ILE . 2.8 mp -65.95 55.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.551 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' B' ' 417' ' ' ARG . 43.3 tt0 -89.41 112.3 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.561 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' B' ' 417' ' ' ARG . 0.1 OUTLIER -43.6 -33.6 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.497 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 43.0 m -75.47 17.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.657 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' B' ' 414' ' ' GLU . 3.0 ttp180 -143.88 -55.61 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.513 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 6.3 tp -116.24 112.72 22.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.93 89.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -89.35 125.34 35.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -127.84 169.33 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.564 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' B' ' 424' ' ' ASN . 1.3 t70 -73.53 81.21 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.548 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 46.8 t 60.31 -77.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.692 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' B' ' 422' ' ' ASP . 5.5 t-20 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptt? . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.592 ' HG1' ' HZ2' ' A' ' 4' ' ' LYS . 67.6 p -83.67 158.97 21.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.7 t -132.9 117.66 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.645 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -122.8 174.85 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.594 HE22 ' HB ' ' A' ' 80' ' ' ILE . 5.3 pt20 -163.12 134.17 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.53 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -82.23 125.54 31.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -127.2 125.65 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.56 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -82.03 127.36 33.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.8 mm -89.7 105.13 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 p -82.8 56.47 3.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 62.79 26.19 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.481 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 14' ' ' GLY . 1.1 ttmp? -167.58 98.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mp -62.56 -3.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.535 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.559 ' O ' ' HB2' ' A' ' 15' ' ' MET . . . 112.03 25.66 4.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 1.093 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.6 mtm 83.95 33.22 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.608 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.731 ' O ' ' SD ' ' A' ' 21' ' ' MET . 0.4 OUTLIER -13.42 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.455 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 1.093 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -51.29 -10.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.493 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.758 ' H ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -136.67 -51.98 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.498 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.758 ' HD2' ' H ' ' A' ' 18' ' ' ARG . 51.4 Cg_exo -49.54 -60.34 0.89 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.921 2.414 . . . . 0.0 112.123 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.539 ' HB2' HD22 ' A' ' 52' ' ' LEU . . . -55.87 -45.38 78.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.731 ' SD ' ' O ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -66.75 -43.86 82.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -60.99 -37.32 82.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 tp -49.39 -47.73 47.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.617 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 16.5 m-85 -55.45 -39.48 70.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.467 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -73.48 -34.38 65.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.52 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' A' ' 30' ' ' PHE . 85.3 mt -67.26 -44.04 80.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.628 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.609 ' CE ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -54.86 -34.05 62.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -79.19 -32.76 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.574 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.91 -33.99 31.9 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' A' ' 26' ' ' LEU . 16.3 m-85 -103.54 158.88 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.595 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 41.0 t0 -101.44 93.62 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.683 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.834 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 168.17 156.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.463 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -100.93 129.49 46.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.508 ' N ' ' HE1' ' A' ' 27' ' ' MET . 90.6 t -106.62 133.72 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.1 mt -134.19 138.08 44.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.51 149.92 27.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.484 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.468 HH21 ' HD2' ' A' ' 37' ' ' ARG . 37.6 mtm180 -146.39 135.38 22.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.44 ' HB2' ' HG1' ' A' ' 42' ' ' THR . 4.9 m120 -92.9 154.84 17.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -27.88 16.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.553 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -68.27 -11.03 58.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.75 11.32 59.27 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.44 ' HG1' ' HB2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -84.24 117.22 23.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.332 . . . . 0.0 110.619 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.25 102.78 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.558 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.66 65.6 7.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -40.98 121.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.617 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.58 -9.07 11.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -100.23 27.24 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -145.94 124.5 12.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.512 ' O ' HD11 ' A' ' 53' ' ' LEU . 7.3 p -63.89 -35.91 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.75 -37.52 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.593 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.14 92.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.618 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 20' ' ' ALA . 41.5 tp -57.88 -38.47 75.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.839 ' N ' HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.3 -36.07 82.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.7 mtt -67.41 -40.3 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.15 -35.74 75.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -52.44 -34.27 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.4 t -77.87 -6.4 54.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.04 29.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.64 ' HZ1' ' CB ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -69.67 96.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.18 4.66 38.23 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -105.35 164.63 11.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 0.0 110.606 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -98.08 143.68 28.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 pt -131.23 162.07 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.595 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.455 ' OE2' ' HB2' ' A' ' 4' ' ' LYS . 19.6 tp10 -124.0 101.36 7.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 89.0 t -81.05 128.15 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -120.33 138.41 53.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.28 130.85 31.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 t -123.98 128.73 49.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.468 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.834 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 142.64 161.29 8.72 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.67 ' O ' ' OE2' ' A' ' 73' ' ' GLU . 54.7 Cg_exo -46.91 -44.56 22.41 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.839 2.359 . . . . 0.0 112.127 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 74' ' ' GLU . 14.5 mm100 -93.94 5.87 50.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 16.7 pt-20 -37.13 -36.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.671 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.67 ' OE2' ' O ' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -64.6 -49.75 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' GLN . 36.2 tp10 -56.91 -52.12 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.17 -49.45 71.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.474 ' CD2' ' C ' ' A' ' 76' ' ' LEU . 6.3 tt -64.7 -44.53 89.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 80' ' ' ILE . . . -62.43 -42.27 99.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.98 99.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.88 -42.74 89.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.548 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.594 ' HB ' HE22 ' A' ' 5' ' ' GLN . 0.8 OUTLIER -64.43 -41.08 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.546 ' N ' HG23 ' A' ' 80' ' ' ILE . . . -64.18 -35.59 81.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -73.61 -39.23 64.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.472 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.714 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.02 -24.05 61.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.512 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -89.03 -3.18 58.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.559 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . 0.495 ' H ' ' HA ' ' B' ' 394' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.48 129.48 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.659 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -84.13 103.18 13.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -101.23 159.62 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.4 119.64 77.52 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.51 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.51 107.13 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.912 2.408 . . . . 0.0 112.195 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -89.44 -34.03 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.608 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -138.75 102.37 7.77 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.14 135.45 18.88 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.82 2.346 . . . . 0.0 112.143 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 143.46 171.24 13.63 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.42 159.35 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.301 . . . . 0.0 110.619 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -163.72 147.26 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 1.4 pp -129.49 128.73 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.617 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 177.78 177.32 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . 0.553 ' H ' ' CD ' ' B' ' 184' ' ' GLU . 2.2 pm0 -81.03 165.99 21.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -99.45 134.05 11.53 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . 0.435 ' HB3' ' O ' ' B' ' 324' ' ' ILE . 80.9 t90 -110.57 102.86 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.731 0.301 . . . . 0.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . 0.546 ' O ' ' NE2' ' B' ' 187' ' ' GLN . 0.0 OUTLIER -69.38 138.01 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.5 ' OD1' ' OG1' ' B' ' 190' ' ' THR . 40.6 t0 -76.45 99.92 5.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.643 ' O ' ' CD1' ' B' ' 191' ' ' LEU . . . -72.06 -9.32 58.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 190' ' ' THR . . . . . 0.5 ' OG1' ' OD1' ' B' ' 188' ' ' ASP . 80.8 p -64.79 109.46 2.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.678 ' O ' ' N ' ' B' ' 193' ' ' LEU . 0.7 OUTLIER -116.52 153.48 48.95 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.54 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.766 ' C ' ' H ' ' B' ' 194' ' ' MET . 52.8 Cg_exo -47.78 71.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.858 2.372 . . . . 0.0 112.116 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . 0.678 ' N ' ' O ' ' B' ' 191' ' ' LEU . 1.0 OUTLIER -46.77 -0.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.624 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 194' ' ' MET . . . . . 0.766 ' H ' ' C ' ' B' ' 192' ' ' PRO . 2.1 mmt -75.05 -50.95 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.529 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -80.86 -12.65 59.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -97.39 31.48 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.519 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -95.25 160.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.556 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -173.05 88.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.17 153.51 51.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.611 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -67.61 -167.92 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 41.3 t -120.93 83.87 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 70.6 m -129.99 119.67 23.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.614 ' CD2' ' N ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -82.93 136.04 34.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.712 ' OD1' ' OE2' ' B' ' 208' ' ' GLU . 1.2 p30 -153.49 77.01 6.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.615 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.22 -24.75 3.92 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.789 2.326 . . . . 0.0 112.11 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -78.37 -48.75 14.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.489 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' B' ' 211' ' ' ARG . 74.9 mt -80.41 -42.98 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.712 ' OE2' ' OD1' ' B' ' 204' ' ' ASP . 0.6 OUTLIER -59.16 -59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.489 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -55.78 -45.33 78.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -68.38 -40.66 81.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' B' ' 207' ' ' LEU . 34.9 mtp180 -55.84 -44.09 77.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.469 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.83 -50.38 56.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.469 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 27.8 m -53.59 -47.99 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.75 -35.7 92.36 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.37 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.506 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.74 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.6 OUTLIER -58.46 -42.53 87.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.54 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.607 ' HG2' ' ND2' ' B' ' 221' ' ' ASN . 0.0 OUTLIER -58.83 -27.09 64.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.515 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -92.58 -33.48 14.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.445 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . 0.678 ' O ' ' HG3' ' B' ' 222' ' ' GLU . . . -91.17 -36.38 13.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -72.85 -51.76 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.518 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.607 ' ND2' ' HG2' ' B' ' 217' ' ' GLU . 88.8 m-20 -59.32 -44.69 92.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.678 ' HG3' ' O ' ' B' ' 219' ' ' ALA . 0.0 OUTLIER -62.03 -39.13 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.413 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . 0.521 ' H ' ' HG3' ' B' ' 222' ' ' GLU . 0.2 OUTLIER -64.04 -52.22 60.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 28.6 ttm105 -66.26 -38.77 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.512 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -66.68 -34.25 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.65 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 10.5 m-30 -59.69 -47.97 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.523 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.72 -48.72 40.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -59.2 -36.89 76.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . 0.407 ' NH1' ' CD1' ' B' ' 226' ' ' TYR . 3.6 ttm-85 -66.78 -43.28 84.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -71.07 -40.22 71.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.07 -31.93 61.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -53.76 -18.82 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . 0.917 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -157.09 -97.67 0.13 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.917 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . 7.5 -140.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.568 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.484 ' O ' ' OG1' ' B' ' 238' ' ' THR . 20.6 pt20 -128.13 179.21 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -73.23 -30.86 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.466 ' OE1' ' NE2' ' B' ' 235' ' ' GLN . 2.8 tt0 -57.04 -35.61 69.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.583 ' O ' HG12 ' B' ' 241' ' ' ILE . 39.9 p -63.26 -56.87 12.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -68.88 -26.97 65.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.43 99.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . 0.683 HG13 ' H ' ' B' ' 242' ' ' PHE . 21.9 pt -73.38 -54.6 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.683 ' H ' HG13 ' B' ' 241' ' ' ILE . 22.8 m-85 -52.97 -65.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 242' ' ' PHE . 19.9 t70 -38.23 -37.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . 0.67 ' O ' HD21 ' B' ' 244' ' ' LEU . 4.8 tt -71.51 -42.24 68.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.793 ' HH ' ' N ' ' B' ' 298' ' ' LEU . 2.0 m-85 -68.74 -37.13 79.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 74.0 m -47.42 -47.56 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.601 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.583 ' HA ' ' HG ' ' B' ' 250' ' ' SER . 0.0 OUTLIER -81.46 -20.35 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.626 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 5.2 tt -66.1 -50.4 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' B' ' 250' ' ' SER . 0.3 OUTLIER -79.65 -36.99 36.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.653 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 250' ' ' SER . . . . . 0.583 ' HG ' ' HA ' ' B' ' 247' ' ' HIS . 27.7 p -67.24 -20.17 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.752 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 53.3 p30 -49.7 133.11 21.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 252' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' B' ' 256' ' ' ARG . 0.2 OUTLIER -58.81 4.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.613 ' H ' ' C ' ' B' ' 251' ' ' ASP . 5.7 mtm-85 -87.54 -43.57 11.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 17.8 tp -59.72 -51.93 67.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.619 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' B' ' 250' ' ' SER . 0.0 OUTLIER -66.41 -42.62 87.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' B' ' 252' ' ' THR . 9.3 tmm_? -55.07 -49.77 70.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.613 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -58.8 -45.27 90.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . 0.446 ' CD2' HG21 ' B' ' 275' ' ' VAL . 29.2 mt -59.92 -54.96 40.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.591 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -57.88 -35.96 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.7 86.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . 0.424 ' C ' ' HG ' ' B' ' 266' ' ' SER . 76.9 mm-40 -65.4 -37.59 87.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.517 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . 0.472 ' HA ' ' HG ' ' B' ' 266' ' ' SER . 98.1 t -64.33 -38.41 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.598 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -57.67 -18.23 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.524 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -93.52 -24.88 17.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.557 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.47 24.93 1.69 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 266' ' ' SER . . . . . 0.472 ' HG ' ' HA ' ' B' ' 262' ' ' VAL . 53.1 p -95.19 158.46 15.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.604 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 28.2 t -104.06 148.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -49.53 -40.47 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.421 ' CD ' HH12 ' B' ' 211' ' ' ARG . 2.3 mp0 -52.85 -48.63 66.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -82.45 -34.17 28.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.506 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.454 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -55.2 -50.89 68.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.482 ' O ' HG12 ' B' ' 276' ' ' ILE . 32.9 m -63.42 -33.8 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . 0.476 ' O ' HG12 ' B' ' 276' ' ' ILE . 30.6 ttpt -73.56 -48.68 31.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 33.9 p -61.08 -53.98 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.454 HG22 ' O ' ' B' ' 271' ' ' ALA . 53.6 t -49.55 -61.58 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.469 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.547 HG13 ' N ' ' B' ' 277' ' ' GLU . 36.2 pt -53.89 -38.88 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.465 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.65 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 4.3 mm-40 -66.12 -44.08 85.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.01 -37.89 84.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -73.48 -30.35 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.86 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.65 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 5.5 mp0 -69.12 -47.66 64.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -64.1 -32.7 74.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.542 ' O ' HD22 ' B' ' 291' ' ' LEU . 0.8 OUTLIER -63.63 -52.52 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -64.2 -45.49 88.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.565 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -36.21 -39.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.63 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.486 ' O ' ' O ' ' B' ' 284' ' ' ALA . 1.0 OUTLIER -67.04 161.69 23.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.575 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 10.6 m -106.88 -24.75 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.442 ' OD2' ' HB3' ' B' ' 286' ' ' LEU . 0.0 OUTLIER -43.88 125.86 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.619 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -65.17 -50.7 64.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.466 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . 0.404 ' CE2' ' NE2' ' A' ' 16' ' ' HIS . 5.8 t80 -49.39 -23.19 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.546 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.542 HD22 ' O ' ' B' ' 283' ' ' PHE . 0.0 OUTLIER -84.9 -62.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.473 ' N ' ' CG ' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -38.38 -39.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.482 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -71.97 -47.42 52.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.365 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 291' ' ' LEU . 60.0 mtp180 -59.72 -27.94 66.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.408 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -50.18 -46.2 54.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -47.31 -43.73 19.84 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . 0.468 ' HB3' ' CE1' ' B' ' 245' ' ' TYR . 4.6 m-20 -64.63 -38.96 92.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 110.349 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . 0.793 ' N ' ' HH ' ' B' ' 245' ' ' TYR . 1.1 tt -54.52 -54.02 46.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.454 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . 0.403 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 5.5 tmm_? -52.02 -39.61 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.317 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' B' ' 303' ' ' GLN . . . -65.62 -38.29 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.289 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -46.22 72.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.417 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.96 -41.45 98.65 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . 0.528 ' HG2' ' N ' ' B' ' 304' ' ' ARG . 1.2 pt20 -67.62 -39.39 84.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.286 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.528 ' N ' ' HG2' ' B' ' 303' ' ' GLN . 6.5 mmm-85 -66.31 -42.68 87.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.364 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 3.2 tt -69.44 -35.08 75.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.385 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -42.28 97.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.433 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' B' ' 310' ' ' ASP . 1.4 m-85 -62.95 -43.31 99.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.462 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . 0.813 ' CE1' HD22 ' B' ' 313' ' ' ASN . 73.6 m-70 -69.19 -23.12 63.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.464 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.23 -14.57 39.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' B' ' 312' ' ' ALA . 0.4 OUTLIER -113.45 118.45 34.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.538 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' B' ' 313' ' ' ASN . 6.0 t70 -48.09 -12.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.581 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' B' ' 310' ' ' ASP . . . -75.0 20.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.527 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.813 HD22 ' CE1' ' B' ' 308' ' ' HIS . 9.7 t-20 -31.62 111.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.507 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.12 -77.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 48.41 -108.54 0.39 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -73.09 -33.51 7.37 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.833 2.356 . . . . 0.0 112.131 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 52.0 t30 49.78 -110.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -175.57 117.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 1.058 ' HB3' ' HD2' ' B' ' 320' ' ' PRO . 88.2 m95 -79.66 -173.0 0.37 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . 1.058 ' HD2' ' HB3' ' B' ' 319' ' ' TRP . 51.1 Cg_exo -48.97 159.51 0.93 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.797 2.332 . . . . 0.0 112.11 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.93 16.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.649 ' H ' ' C ' ' B' ' 320' ' ' PRO . 19.5 mtp85 -130.63 108.54 9.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.551 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 172.58 148.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.69 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . 0.557 HG12 ' HA2' ' B' ' 185' ' ' GLY . 1.9 pt -113.14 158.38 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.575 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 59.8 mt -89.93 130.7 36.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.654 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 4.1 t -134.4 96.09 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.18 149.03 48.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -63.5 -30.09 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.554 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.16 131.08 38.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.537 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.19 140.46 31.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.54 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 45.8 t -142.74 124.26 14.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.81 -41.36 70.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 333' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' B' ' 300' ' ' ALA . 90.5 m -59.85 -46.05 90.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 86.4 m -58.19 -53.52 57.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.487 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.4 OUTLIER -54.62 -31.81 57.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.512 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -72.67 16.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' B' ' 335' ' ' LEU . 96.1 mt-10 -109.01 -32.63 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.585 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.87 125.1 32.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.35 148.63 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.867 2.378 . . . . 0.0 112.083 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.17 -10.03 55.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -70.67 -42.0 71.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.528 ' HG3' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -78.8 -26.54 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.556 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.528 ' N ' ' HG3' ' B' ' 342' ' ' ARG . 18.0 tp -66.97 104.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 10.7 t -122.33 3.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.522 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . 0.525 ' H ' HD11 ' B' ' 343' ' ' LEU . . . 179.79 161.41 26.99 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 96.7 t -141.32 141.0 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 59.4 t -146.32 121.21 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.464 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 69.0 t -119.54 152.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.565 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . 0.519 ' HE ' ' C ' ' B' ' 373' ' ' ASP . 1.6 tpt180 -84.66 -40.69 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.61 ' O ' ' C ' ' B' ' 351' ' ' GLY . 5.1 t70 -135.54 -84.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 20.42 62.33 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . 0.661 ' O ' ' CB ' ' B' ' 353' ' ' ALA . . . -83.69 175.54 9.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 110.531 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.661 ' CB ' ' O ' ' B' ' 352' ' ' ALA . . . 93.75 -170.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.599 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . 0.778 ' O ' ' O ' ' B' ' 355' ' ' SER . 7.3 p-10 -73.31 -38.93 65.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 355' ' ' SER . . . . . 0.778 ' O ' ' O ' ' B' ' 354' ' ' ASN . 0.1 OUTLIER 36.11 114.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' B' ' 355' ' ' SER . 5.6 mp0 -38.22 -39.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.3 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 355' ' ' SER . . . -58.32 -46.92 85.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.406 HG21 HD12 ' B' ' 359' ' ' ILE . 13.9 tt -72.02 -26.21 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -67.01 -49.48 65.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.554 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . 0.405 HG21 ' N ' ' B' ' 362' ' ' ARG . 16.7 m -63.19 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.581 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.422 HH21 ' HD3' ' B' ' 362' ' ' ARG . 12.2 mtm-85 -59.05 -52.01 67.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.56 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.48 -27.07 68.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.457 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -30.7 68.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 88.11 29.7 19.34 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 96.5 mt -108.55 126.35 29.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.658 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.53 120.56 4.64 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.818 2.345 . . . . 0.0 112.121 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 91.8 m -142.62 145.43 33.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.551 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 19.2 m -141.07 154.33 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.642 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 370' ' ' MET . . . . . . . . . . . . . 6.1 ptp -135.73 171.0 15.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.497 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 84.98 3.76 87.55 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . 0.514 ' O ' ' NE ' ' B' ' 349' ' ' ARG . . . -53.6 115.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.752 0.31 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . 0.519 ' C ' ' HE ' ' B' ' 349' ' ' ARG . 74.6 m-20 -79.96 28.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.546 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . 0.516 ' N ' ' HE ' ' B' ' 349' ' ' ARG . 6.7 tp -126.08 128.28 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.576 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.52 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 1.3 mp0 -77.49 151.76 80.66 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -72.71 -16.11 26.74 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.892 2.394 . . . . 0.0 112.083 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 28.9 t -64.98 -37.07 86.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.448 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' B' ' 378' ' ' VAL . 24.9 t -92.03 23.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.71 ' O ' ' N ' ' B' ' 381' ' ' ARG . 61.9 mt -125.95 -21.71 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' B' ' 185' ' ' GLY . 2.3 t-160 23.29 -82.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' B' ' 379' ' ' LEU . 9.3 ptp180 -144.28 25.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -65.86 173.48 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.547 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 70.9 p -82.79 127.18 33.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.564 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 4.4 tt -124.68 148.37 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.75 103.26 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 9.3 p -92.21 147.06 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.551 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.649 ' O ' ' N ' ' B' ' 391' ' ' GLY . 66.7 t0 -135.04 76.69 1.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -48.06 -42.56 23.67 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -49.58 -47.21 49.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.481 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . 0.448 HH11 ' CG2' ' B' ' 413' ' ' ILE . 9.8 tpp180 -105.37 -0.19 26.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.649 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 51.98 44.02 55.89 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -112.01 150.12 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' B' ' 170' ' ' ARG . 3.0 tt -126.49 118.99 26.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.495 ' HA ' ' H ' ' B' ' 170' ' ' ARG . 11.1 mp -106.51 150.88 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.586 ' O ' ' C ' ' B' ' 396' ' ' ASP . 58.9 t -122.31 101.99 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.586 ' C ' ' O ' ' B' ' 395' ' ' VAL . 39.0 t70 24.44 59.82 0.39 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.564 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.19 178.93 5.44 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.879 2.386 . . . . 0.0 112.077 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . 0.422 ' OE1' ' HD2' ' B' ' 399' ' ' PRO . 20.2 mm-40 -48.53 125.95 12.67 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . 0.422 ' HD2' ' OE1' ' B' ' 398' ' ' GLU . 53.1 Cg_exo -47.48 -35.55 22.1 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.873 2.382 . . . . 0.0 112.178 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 78.3 t -70.15 -48.7 60.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 5.8 mp -54.96 -51.57 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.45 -32.45 73.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.613 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.19 -57.22 13.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.527 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -67.79 -46.99 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -45.44 -50.74 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.569 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -62.2 -37.02 83.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -75.06 -35.59 61.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.89 -54.5 13.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.13 -34.47 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 87.2 p -78.95 -19.48 51.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.587 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.72 44.35 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . 0.583 ' O ' ' O ' ' B' ' 418' ' ' LEU . 44.8 tp10 -170.53 -114.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 0.684 ' O ' ' C ' ' B' ' 414' ' ' GLU . 81.4 mt -31.74 -38.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.597 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 0.737 ' O ' ' N ' ' B' ' 418' ' ' LEU . 0.2 OUTLIER -7.76 109.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.522 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.52 -13.31 61.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.588 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 416' ' ' SER . . . . . 0.411 ' N ' ' OE1' ' B' ' 414' ' ' GLU . 65.5 p -82.83 -10.77 58.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' B' ' 418' ' ' LEU . 33.8 mtm105 -147.51 -24.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.666 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . 0.737 ' N ' ' O ' ' B' ' 414' ' ' GLU . 3.4 tp 79.92 -154.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -78.62 138.52 38.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.617 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' B' ' 420' ' ' GLU . 58.1 mp0 -116.06 -43.07 3.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.21 -170.12 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.542 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.8 -165.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.502 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 53.7 t -77.13 132.1 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.539 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.6 p -83.05 159.04 22.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.558 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 2.6 p -132.98 119.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.453 ' HD2' HH12 ' A' ' 37' ' ' ARG . 4.9 pttp -127.41 172.4 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -161.46 134.04 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.481 ' OG1' ' NE2' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -79.21 128.91 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -129.64 124.03 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.29 127.35 32.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.541 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mm -90.6 105.79 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.667 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.7 p -83.14 57.16 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.473 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 11' ' ' ASN . 6.8 t-20 61.18 26.84 16.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 8.5 ttpt -167.33 98.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.83 ' H ' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.36 -5.26 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.684 ' O ' ' SD ' ' A' ' 15' ' ' MET . . . 153.8 -67.53 0.31 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.684 ' SD ' ' O ' ' A' ' 14' ' ' GLY . 0.5 OUTLIER -152.75 -163.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.704 0.288 . . . . 0.0 110.501 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 31.1 m80 -43.61 -38.51 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.483 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' HB1' HH11 ' A' ' 18' ' ' ARG . . . 159.97 5.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.886 ' N ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -53.98 -47.19 97.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.654 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.6 Cg_exo -47.36 -55.75 3.66 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.793 2.328 . . . . 0.0 112.07 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.22 -47.74 82.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.496 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.525 ' SD ' ' O ' ' B' ' 240' ' ' ALA . 41.7 mtm -65.84 -41.64 91.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.448 ' NZ ' ' HB3' ' A' ' 18' ' ' ARG . 48.6 mttp -62.51 -37.63 86.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -50.04 -45.64 52.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.605 ' CE2' ' NE2' ' B' ' 247' ' ' HIS . 2.6 m-85 -55.9 -40.82 73.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -72.0 -35.92 69.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.471 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 22' ' ' LYS . 9.5 mp -66.94 -42.72 84.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 ttp -55.85 -31.42 62.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -83.56 -29.74 27.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.69 -31.75 29.06 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -106.91 153.73 22.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.669 0.271 . . . . 0.0 110.638 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 59.0 t0 -96.12 95.17 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.734 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 167.95 156.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.58 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -101.83 128.25 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.5 t -105.7 134.64 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mp -136.08 137.74 41.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' C ' ' HG3' ' A' ' 37' ' ' ARG . 2.0 tt -106.84 151.6 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.689 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.453 HH12 ' HD2' ' A' ' 4' ' ' LYS . 54.5 mtm180 -147.92 134.08 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -91.8 155.58 18.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.456 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -52.49 -28.28 19.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.62 -11.46 58.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.76 11.53 59.01 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -84.25 117.48 23.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.352 . . . . 0.0 110.492 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.08 103.19 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.617 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.18 64.79 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -40.34 121.33 1.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -9.61 12.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -99.77 27.41 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.58 124.18 12.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.27 -35.46 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.9 tt -61.81 -36.5 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.79 89.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.547 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.29 -38.39 80.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.844 HD11 ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -65.72 -34.0 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.537 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.844 ' N ' HD11 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -70.71 -35.03 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 51.2 tp -64.51 -34.98 79.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' OD2' ' OD2' ' B' ' 288' ' ' ASP . 5.4 m-20 -53.45 -35.0 60.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -75.99 -7.07 53.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.633 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.06 29.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -69.31 97.3 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.11 6.93 38.92 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.03 164.51 12.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.606 ' NE2' ' O ' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -97.53 142.37 29.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.623 HG12 ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -130.39 161.06 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.639 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.623 ' N ' HG12 ' A' ' 63' ' ' ILE . 17.2 mp0 -123.32 101.44 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.555 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 7.9 m -81.37 128.16 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -120.67 138.58 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 3' ' ' VAL . . . -137.52 131.04 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -123.95 129.43 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.734 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 142.19 162.32 9.16 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.83 -45.11 25.3 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.857 2.372 . . . . 0.0 112.059 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 72' ' ' GLU . 34.0 mt-30 -94.3 7.2 46.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.507 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 19.5 pt-20 -38.44 -36.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 14.5 pt-20 -64.3 -49.2 72.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 33.9 tp10 -57.24 -51.95 67.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.655 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.513 ' O ' HG12 ' A' ' 79' ' ' VAL . . . -55.2 -49.26 72.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.99 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.8 OUTLIER -64.83 -44.03 91.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.501 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.83 99.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.97 97.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.45 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 76' ' ' LEU . 2.5 m -66.38 -42.67 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.434 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.505 ' N ' ' CG2' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -64.53 -41.85 93.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.474 ' N ' HG23 ' A' ' 80' ' ' ILE . . . -63.72 -35.64 81.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.466 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.7 mt -73.85 -38.12 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 13' ' ' LEU . 12.7 m-30 -69.47 -31.6 69.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.564 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.437 ' O ' ' CB ' ' A' ' 85' ' ' SER . 8.8 m120 -82.37 -4.83 58.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.1 t . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . 0.464 ' HB3' HH21 ' B' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 59.6 mt -131.59 130.02 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.766 ' HE ' ' N ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -80.72 113.51 18.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' B' ' 391' ' ' GLY . . . -116.84 159.07 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 370' ' ' MET . 58.3 mt -74.53 118.55 70.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.496 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -73.25 106.12 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.746 2.297 . . . . 0.0 112.131 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . 0.577 ' CB ' ' SD ' ' B' ' 370' ' ' MET . . . -83.86 -36.68 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . 0.432 ' HB2' ' H ' ' B' ' 368' ' ' THR . . . -135.84 133.31 19.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.416 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.04 143.27 40.09 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.787 2.325 . . . . 0.0 112.067 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 134.98 161.93 9.59 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 386' ' ' VAL . 7.8 p -129.93 148.21 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 0.0 110.523 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -156.64 155.04 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.518 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . 0.462 ' O ' ' NH2' ' B' ' 322' ' ' ARG . 4.3 tt -124.89 128.29 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -173.49 175.18 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' B' ' 382' ' ' ARG . 93.3 mt-10 -85.3 163.74 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -104.78 126.59 8.76 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . 0.605 ' C ' ' CD1' ' B' ' 186' ' ' TRP . 0.0 OUTLIER -110.1 159.5 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.719 0.295 . . . . 0.0 110.587 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -115.39 139.0 50.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.572 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.617 ' OD1' ' OG1' ' B' ' 190' ' ' THR . 33.8 t0 -76.28 82.34 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -48.94 -10.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 190' ' ' THR . . . . . 0.617 ' OG1' ' OD1' ' B' ' 188' ' ' ASP . 11.6 m -46.24 103.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.521 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.658 ' O ' ' N ' ' B' ' 193' ' ' LEU . 6.1 mt -101.44 144.75 29.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.559 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.58 ' O ' ' N ' ' B' ' 194' ' ' MET . 52.0 Cg_exo -47.93 72.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.825 2.35 . . . . 0.0 112.008 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . 0.658 ' N ' ' O ' ' B' ' 191' ' ' LEU . 90.3 mt -43.08 -14.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.681 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 194' ' ' MET . . . . . 0.58 ' N ' ' O ' ' B' ' 192' ' ' PRO . 19.9 mtt -69.01 -44.05 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -78.29 -8.45 58.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -82.05 -7.65 59.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.504 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . . . . . . . . . 35.2 m -56.67 154.53 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.566 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -119.24 137.19 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -62.74 135.47 57.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -170.58 125.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.625 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 22.8 p -104.54 86.88 2.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 53.3 p -146.33 105.3 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -71.81 141.29 49.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' B' ' 208' ' ' GLU . 3.4 m-20 -159.31 60.68 1.63 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.617 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . 0.564 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 52.7 Cg_exo -47.6 -30.67 12.71 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.865 2.377 . . . . 0.0 112.122 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -78.49 -52.28 8.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.456 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . 0.567 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 1.9 tp -74.77 -29.76 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.546 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' B' ' 204' ' ' ASP . 52.9 mm-40 -78.54 -55.97 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . 0.564 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 0.2 OUTLIER -50.94 -53.23 34.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.503 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . 0.459 ' HA ' ' HG1' ' B' ' 213' ' ' THR . 14.8 pt-20 -64.55 -39.15 93.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.501 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.605 ' NH2' ' OE2' ' B' ' 269' ' ' GLU . 14.6 ttt-85 -56.87 -43.23 81.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.471 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 30.6 mt -66.96 -57.3 7.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 213' ' ' THR . . . . . 0.549 ' O ' ' OE2' ' B' ' 217' ' ' GLU . 77.6 p -49.76 -51.14 41.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -59.02 -36.67 89.45 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.68 -45.34 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.424 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.666 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.6 OUTLIER -56.46 -52.59 64.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.437 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 1.0 OUTLIER -53.6 -30.91 44.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.457 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -75.76 -36.37 59.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.445 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -93.14 -48.93 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -54.94 -49.03 72.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.512 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.566 ' C ' ' HE ' ' B' ' 225' ' ' ARG . 89.9 m-20 -63.78 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.46 ' O ' ' CD1' ' B' ' 226' ' ' TYR . 34.3 tt0 -62.78 -46.62 87.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.499 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -68.35 -43.34 77.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . 0.42 HH21 ' HD3' ' B' ' 224' ' ' ARG . 12.2 ttp180 -63.97 -49.14 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.453 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . 0.566 ' HE ' ' C ' ' B' ' 221' ' ' ASN . 90.1 mtm180 -66.23 -30.02 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 1.3 m-85 -59.62 -44.24 93.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.562 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 69.4 m -48.96 -40.49 30.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -61.56 -23.95 66.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -76.29 -46.68 26.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . 0.491 ' CE2' ' CB ' ' B' ' 239' ' ' ALA . 0.0 OUTLIER -51.23 -39.45 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -40.34 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -66.02 -39.54 90.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.588 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -86.56 -125.59 1.87 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -165.19 41.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.519 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.508 ' OE1' ' HB1' ' B' ' 363' ' ' ALA . 0.0 OUTLIER -111.59 89.74 3.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.621 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -62.47 -20.12 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.514 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -62.23 -45.61 92.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.516 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.413 ' CG2' ' SD ' ' B' ' 360' ' ' MET . 28.6 p -62.0 -54.57 39.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . 0.491 ' CB ' ' CE2' ' B' ' 230' ' ' PHE . . . -58.27 -46.15 86.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.525 ' O ' ' SD ' ' A' ' 21' ' ' MET . . . -61.37 -45.31 94.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.479 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.85 -52.96 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.523 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' B' ' 245' ' ' TYR . 10.9 m-30 -56.82 -57.07 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.584 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' B' ' 242' ' ' PHE . 4.5 t70 -33.66 -46.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . 0.533 ' O ' HD21 ' B' ' 244' ' ' LEU . 1.8 tt -77.65 -39.46 45.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' B' ' 242' ' ' PHE . 8.5 t80 -55.0 -53.31 57.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 83.6 p -52.83 -50.17 64.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.605 ' NE2' ' CE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -67.33 -32.23 73.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.68 -46.34 79.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . 0.577 ' O ' ' NH2' ' B' ' 255' ' ' ARG . 8.7 mp -70.66 -43.32 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.617 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 89.3 p -78.65 -7.49 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.473 ' OD1' ' CZ ' ' B' ' 253' ' ' ARG . 42.0 t0 -46.67 115.94 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 252' ' ' THR . . . . . 0.622 ' OG1' ' NH1' ' B' ' 253' ' ' ARG . 9.7 p -52.27 -12.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.669 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.622 ' NH1' ' OG1' ' B' ' 252' ' ' THR . 0.1 OUTLIER -74.95 -52.58 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.471 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.97 -37.61 80.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.574 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' B' ' 249' ' ' LEU . 0.0 OUTLIER -60.72 -45.94 92.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -41.09 48.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.585 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . 0.425 ' OE2' ' CZ ' ' B' ' 279' ' ' PHE . 51.9 mt-10 -61.77 -45.07 95.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -64.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.557 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . 0.463 ' CE2' ' OD2' ' B' ' 263' ' ' ASP . 60.2 t80 -55.78 -36.66 67.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.597 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.05 97.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.544 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -70.4 -42.59 71.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.592 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.55 -38.12 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . 0.463 ' OD2' ' CE2' ' B' ' 259' ' ' PHE . 89.9 m-20 -59.48 -17.35 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.66 -20.8 23.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 119.92 22.48 3.25 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.5 m -98.28 155.97 16.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.781 0.325 . . . . 0.0 110.551 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.576 ' O ' ' HB3' ' B' ' 271' ' ' ALA . 3.4 t -98.6 148.61 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . 0.446 ' HA ' ' HB2' ' B' ' 271' ' ' ALA . . . -52.56 -52.1 56.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.55 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.605 ' OE2' ' NH2' ' B' ' 211' ' ' ARG . 0.9 OUTLIER -38.12 -59.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . 0.4 ' O ' ' HB3' ' B' ' 273' ' ' LYS . 0.7 OUTLIER -80.93 -35.56 32.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' B' ' 267' ' ' VAL . . . -52.21 -52.63 51.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.704 ' O ' HG12 ' B' ' 276' ' ' ILE . 18.3 m -70.7 -14.91 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 62.9 tttp -78.86 -33.55 45.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 274' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 278' ' ' LYS . 1.5 m -77.05 -57.94 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.576 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.711 ' CG2' ' H ' ' B' ' 276' ' ' ILE . 10.7 m -45.24 -60.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.711 ' H ' ' CG2' ' B' ' 275' ' ' VAL . 2.1 pp -56.14 -41.04 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.457 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 42.1 tp10 -67.27 -38.91 85.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' B' ' 274' ' ' THR . 35.4 ttpt -72.42 -31.61 65.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.65 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . 0.425 ' CZ ' ' OE2' ' B' ' 257' ' ' GLU . 2.3 m-85 -78.69 -29.03 45.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -74.88 -23.25 58.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.457 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 1.2 mp0 -85.64 -53.37 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.654 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -59.96 -41.58 92.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 5.1 m-30 -71.25 -48.6 50.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.597 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -78.29 7.6 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.684 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' B' ' 281' ' ' GLU . . . -97.47 -3.18 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.45 ' HG ' ' CD1' ' A' ' 53' ' ' LEU . 3.8 mm? -87.8 -168.74 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.616 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 55.4 m -116.26 -18.23 10.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.586 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 9.9 t0 -60.43 121.21 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -40.04 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -50.04 -41.2 47.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.73 ' CD1' ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.04 -53.61 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.476 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' B' ' 288' ' ' ASP . 19.1 ttmm -37.13 -54.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . 0.566 ' HG3' ' N ' ' B' ' 294' ' ' ARG . 0.3 OUTLIER -63.69 -38.49 91.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.427 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.566 ' N ' ' HG3' ' B' ' 293' ' ' GLU . 20.1 ttm180 -57.76 -31.19 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -42.1 -46.11 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -44.85 -39.94 6.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -67.19 -41.18 86.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.396 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.33 -53.74 53.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.226 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' B' ' 300' ' ' ALA . 0.0 OUTLIER -52.74 -36.78 58.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.148 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . 0.461 ' N ' ' HG2' ' B' ' 299' ' ' ARG . . . -65.07 -37.51 87.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.264 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . 0.708 ' HG ' ' N ' ' B' ' 302' ' ' GLY . 0.1 OUTLIER -48.5 -41.62 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.266 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . 0.708 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -63.53 -40.3 98.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -63.84 -40.66 97.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 110.218 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.4 ' HD3' HH21 ' B' ' 304' ' ' ARG . 6.9 mmm-85 -69.85 -41.07 75.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.204 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . 0.507 ' O ' HD11 ' B' ' 309' ' ' LEU . 1.0 OUTLIER -64.35 -39.53 94.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.28 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.67 -39.84 84.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.4 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -69.36 -43.37 73.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.436 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -74.09 -21.2 60.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.404 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . 0.507 HD11 ' O ' ' B' ' 305' ' ' LEU . 2.2 mt -72.78 -15.72 61.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.431 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.597 ' O ' ' OD1' ' B' ' 313' ' ' ASN . 51.7 m-20 -97.35 111.34 23.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.45 ' O ' ' ND2' ' B' ' 313' ' ' ASN . 94.2 m-20 -57.14 -15.39 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' B' ' 313' ' ' ASN . . . -75.58 -42.96 50.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.597 ' OD1' ' O ' ' B' ' 310' ' ' ASP . 0.3 OUTLIER 44.37 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . 0.405 ' NE2' ' C ' ' B' ' 313' ' ' ASN . 13.1 mp0 -139.59 103.06 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.619 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -66.8 160.91 47.33 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.64 142.61 13.6 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.827 2.351 . . . . 0.0 112.064 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . 0.432 ' HB3' ' NE1' ' B' ' 319' ' ' TRP . 27.7 t-20 -115.53 163.86 15.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -67.08 83.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.484 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.564 ' HB3' ' HD2' ' B' ' 320' ' ' PRO . 84.8 m95 -94.55 162.2 26.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' B' ' 319' ' ' TRP . 46.1 Cg_endo -72.08 152.74 57.06 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.789 2.326 . . . . 0.0 112.134 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.24 -2.47 21.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' B' ' 182' ' ' ILE . 36.6 mtm105 -157.76 124.89 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.688 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -155.65 159.04 39.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.501 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 47.8 mm -107.63 144.12 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.46 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 5.0 tp -83.54 110.78 18.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.711 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 3.3 t -110.12 97.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.66 150.45 48.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.537 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -70.49 -28.83 65.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -134.2 131.34 38.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.55 126.68 33.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.474 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 1.8 t -136.28 121.69 19.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.33 -41.69 85.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 333' ' ' THR . . . . . 0.483 HG23 ' H ' ' B' ' 334' ' ' THR . 0.6 OUTLIER -56.61 -40.92 76.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.561 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 334' ' ' THR . . . . . 0.483 ' H ' HG23 ' B' ' 333' ' ' THR . 94.5 m -60.58 -45.7 92.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.617 ' C ' ' H ' ' B' ' 337' ' ' GLU . 92.9 mt -57.51 -29.28 64.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.522 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -62.09 8.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.617 ' H ' ' C ' ' B' ' 335' ' ' LEU . 42.4 mm-40 -99.74 -39.64 8.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.683 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 14.9 mt -110.16 149.68 40.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.595 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.88 149.57 47.8 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.745 2.297 . . . . 0.0 112.098 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -69.49 -7.99 43.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.31 -37.3 63.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -89.13 -15.66 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 9.9 mt -84.65 100.55 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.491 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.39 33.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.711 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 146.42 158.27 7.69 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 11.0 m -146.42 151.55 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 95.3 t -140.74 137.23 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 8.8 p -137.12 152.79 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.636 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . 0.455 ' CG ' ' N ' ' B' ' 350' ' ' ASP . 2.7 ptm180 -98.56 -37.33 9.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.455 ' N ' ' CG ' ' B' ' 349' ' ' ARG . 33.5 t70 -134.48 77.71 1.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -126.97 137.38 9.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -71.72 148.18 46.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.814 0.34 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.58 -6.39 59.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -108.08 -13.77 14.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.595 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 10.8 p -46.13 146.03 1.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.5 -20.01 64.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . 0.446 ' O ' HG21 ' B' ' 361' ' ' VAL . . . -85.18 -42.49 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -65.88 -39.82 91.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.557 ' O ' ' HB2' ' B' ' 363' ' ' ALA . 14.0 tt -77.47 -22.0 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.621 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 360' ' ' MET . . . . . 0.54 ' O ' HD21 ' B' ' 364' ' ' LEU . 9.0 ttt -77.3 -43.39 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . 0.779 ' O ' HG21 ' B' ' 366' ' ' ILE . 17.3 m -65.79 -35.27 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.524 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' B' ' 176' ' ' ALA . 37.2 ttp180 -77.46 -33.07 54.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.655 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' B' ' 359' ' ' ILE . . . -67.62 -45.41 75.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.483 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . 0.659 ' CD2' ' HA ' ' B' ' 361' ' ' VAL . 2.9 pp -66.59 -29.19 69.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.672 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 97.71 72.07 1.07 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . 0.779 HG21 ' O ' ' B' ' 361' ' ' VAL . 2.4 tp -143.05 125.78 8.93 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.949 0.404 . . . . 0.0 110.532 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -47.85 116.77 2.06 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.777 2.318 . . . . 0.0 112.243 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 368' ' ' THR . . . . . 0.432 ' H ' ' HB2' ' B' ' 177' ' ' ALA . 43.2 m -128.94 141.1 51.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -136.45 139.88 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.537 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.577 ' SD ' ' CB ' ' B' ' 176' ' ' ALA . 0.0 OUTLIER -126.49 156.48 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 108.81 -10.11 34.7 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' B' ' 349' ' ' ARG . . . -55.17 108.46 0.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.81 0.338 . . . . 0.0 110.489 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 30.47 4.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 8.6 tp -105.83 133.01 51.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.651 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 23.0 mp0 -64.15 130.62 94.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.593 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.57 -21.71 21.92 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.882 2.388 . . . . 0.0 112.205 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 40.0 t -56.95 -31.67 65.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.586 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . 0.694 ' O ' ' ND1' ' B' ' 380' ' ' HIS . 10.4 m -85.1 -28.63 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.848 ' O ' ' N ' ' B' ' 381' ' ' ARG . 1.4 mp -72.39 -22.36 61.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.983 ' CD2' ' H ' ' B' ' 381' ' ' ARG . 42.6 p-80 24.75 -76.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.983 ' H ' ' CD2' ' B' ' 380' ' ' HIS . 0.2 OUTLIER -149.7 28.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' B' ' 184' ' ' GLU . 0.0 OUTLIER -70.77 169.1 15.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.558 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 91.8 m -78.29 132.07 37.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 11.3 tp -136.47 115.62 12.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 1.7 mp -99.61 109.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.612 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . 0.415 ' O ' HG23 ' B' ' 180' ' ' VAL . 31.4 m -96.5 147.59 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.662 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.3 t0 -137.51 81.22 1.85 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -46.96 -47.18 19.86 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -46.48 53.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.533 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -9.56 30.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 55.42 49.84 62.67 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . 0.479 ' HG2' ' N ' ' B' ' 393' ' ' LEU . 85.5 tt0 -132.16 158.41 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 110.639 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . 0.578 ' O ' ' CD1' ' B' ' 393' ' ' LEU . 3.9 pp -136.14 121.87 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.525 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.638 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 3.3 mm? -95.78 154.58 17.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.629 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.806 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 14.6 p -120.66 105.63 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.599 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.61 ' OD1' ' O ' ' B' ' 395' ' ' VAL . 44.1 p-10 21.22 50.81 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.806 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.4 Cg_endo -72.16 -179.2 3.74 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.791 2.328 . . . . 0.0 112.092 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . 0.547 ' HG3' ' HB2' ' B' ' 401' ' ' LEU . 1.3 pm0 -56.75 139.26 77.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.529 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.34 -16.17 27.94 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.724 2.283 . . . . 0.0 112.153 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 79.8 t -76.45 -64.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . 0.547 ' HB2' ' HG3' ' B' ' 398' ' ' GLU . 0.7 OUTLIER -54.32 -51.99 62.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -29.93 30.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.634 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -47.55 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.05 -38.75 72.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.597 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -50.55 -50.25 53.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.53 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -63.67 -33.82 76.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.408 ' C ' ' HG ' ' B' ' 410' ' ' SER . 18.8 ttm-85 -75.32 -33.07 61.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.06 -52.71 17.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.443 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.71 -29.89 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.484 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 410' ' ' SER . . . . . 0.408 ' HG ' ' C ' ' B' ' 407' ' ' ARG . 97.5 p -71.33 -28.34 64.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . 0.493 ' O ' ' C ' ' B' ' 412' ' ' GLU . 13.8 tt0 -125.75 -104.2 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.506 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 411' ' ' GLU . 30.3 tt0 33.08 -125.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.493 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . . . . . . . . . 7.3 mm -114.38 -106.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 0.402 ' HG2' ' H ' ' B' ' 415' ' ' LEU . 23.1 tt0 -145.53 -127.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.698 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . 0.402 ' H ' ' HG2' ' B' ' 414' ' ' GLU . 15.5 mt -113.76 6.25 16.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.609 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 10.8 t -75.99 -79.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' B' ' 418' ' ' LEU . 34.9 ttt180 -72.68 -64.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' B' ' 417' ' ' ARG . 0.4 OUTLIER 77.37 -166.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . 0.467 ' H ' ' CD2' ' B' ' 418' ' ' LEU . . . -103.73 -40.38 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . 0.505 ' OE2' ' N ' ' B' ' 420' ' ' GLU . 1.6 mp0 -82.56 44.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.534 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.63 -19.11 4.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.495 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.77 117.75 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 17.3 m -44.47 -26.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.644 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.562 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -83.01 159.33 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.64 ' O ' HD13 ' A' ' 76' ' ' LEU . 97.4 t -133.39 117.73 28.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.405 ' HB2' ' OE1' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -124.81 172.51 9.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.604 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -161.72 132.7 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.548 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.5 t -78.43 129.31 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.473 HG21 ' CZ ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -130.5 123.36 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.595 ' O ' ' CD ' ' A' ' 8' ' ' GLU . 3.2 pp20? -80.26 127.28 32.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.49 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mm -90.23 105.67 16.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.573 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.1 OUTLIER -83.6 58.94 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.0 m120 61.28 23.89 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -164.79 101.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.556 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.589 HD11 ' HG2' ' A' ' 19' ' ' PRO . 1.9 pp -64.11 -7.87 10.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.76 -87.45 0.11 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -117.06 -50.24 2.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.734 0.302 . . . . 0.0 110.532 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.411 ' ND1' ' CZ ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER 174.68 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.844 ' CB ' HH11 ' A' ' 18' ' ' ARG . . . -169.51 -13.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.567 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.844 HH11 ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -57.12 -54.19 57.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.635 ' O ' HD12 ' A' ' 23' ' ' LEU . 51.0 Cg_exo -48.1 -51.5 9.9 Favored 'Trans proline' 0 C--N 1.303 -1.822 0 C-N-CA 122.733 2.288 . . . . 0.0 112.174 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -62.62 -44.09 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.576 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -40.44 80.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.458 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' O ' HD12 ' A' ' 26' ' ' LEU . 45.1 mttp -63.73 -37.32 86.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 19' ' ' PRO . 4.9 mp -50.31 -43.91 53.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -38.67 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.38 -34.65 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.852 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 5.3 mp -68.23 -40.24 82.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.805 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 66.2 ttp -58.8 -28.86 66.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -86.6 -27.67 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.19 -24.5 36.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.852 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.5 p90 -119.66 138.25 53.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.752 0.311 . . . . 0.0 110.635 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.559 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 66.6 t0 -80.33 109.15 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.625 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.845 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.99 148.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -98.21 128.32 44.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -106.21 133.06 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 mp -134.2 139.15 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' ' OE2' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -109.19 150.24 28.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.41 136.45 23.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.625 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.664 ' ND2' ' SD ' ' A' ' 54' ' ' MET . 20.2 m-80 -93.78 153.56 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.57 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 45.8 p-10 -50.65 -27.97 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 93.8 mt-10 -68.06 -11.72 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.625 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.3 11.06 58.87 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.9 p -84.12 117.44 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.658 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 3.0 tm-20 -78.18 103.39 8.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.32 65.66 7.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.626 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 2.8 mt-10 -41.18 120.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.9 -9.22 8.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -100.4 27.72 5.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.85 122.88 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.594 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.46 ' O ' HD13 ' A' ' 53' ' ' LEU . 6.6 p -62.86 -35.41 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 51' ' ' ALA . 20.6 pt -61.47 -37.83 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.621 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' N ' HG13 ' A' ' 50' ' ' ILE . . . -64.8 -42.37 95.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.4 HD12 ' HB1' ' A' ' 20' ' ' ALA . 51.5 tp -58.13 -39.05 77.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.596 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 49' ' ' VAL . 1.1 mp -65.03 -36.63 85.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.586 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.664 ' SD ' ' ND2' ' A' ' 38' ' ' ASN . 4.9 tmm? -68.29 -36.12 78.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.41 -35.83 81.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD2' ' CG ' ' B' ' 291' ' ' LEU . 85.6 m-20 -53.15 -34.79 58.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -76.36 -6.37 51.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.46 29.28 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.582 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -69.4 97.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.57 5.25 39.61 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -105.95 165.15 11.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.316 . . . . 0.0 110.652 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.4 143.43 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.499 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.1 pt -130.92 161.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.631 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' OE1' ' HB2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -123.69 100.85 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 20.4 t -80.92 128.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -120.54 139.06 53.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.9 130.82 30.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.664 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 t -124.02 129.08 50.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.633 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 142.42 161.38 8.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -46.9 -45.39 20.83 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.908 2.405 . . . . 0.0 112.071 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 74' ' ' GLU . 50.5 mt-30 -93.97 6.95 46.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.465 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 14.5 pt-20 -37.87 -37.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -49.15 73.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.512 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 71' ' ' GLN . 15.8 tm-20 -56.94 -51.9 67.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.641 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.41 -49.27 72.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -64.79 -43.91 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.618 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.15 99.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.558 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.28 99.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.577 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -67.02 -41.87 87.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.5 mm -65.17 -41.09 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.608 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.67 81.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.4 mt -73.58 -38.97 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.733 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.13 -22.92 61.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -90.51 -3.77 57.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.087 -0.958 . . . . 0.0 110.65 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . 0.464 ' H ' ' HA ' ' B' ' 394' ' ' LEU . 9.7 mtp180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 16.6 mm -102.04 131.6 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.73 109.45 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.505 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' B' ' 391' ' ' GLY . . . -109.45 160.68 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' B' ' 370' ' ' MET . 11.8 mt -79.2 115.59 53.95 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.25 110.51 2.97 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.817 2.345 . . . . 0.0 112.158 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -91.91 -25.57 18.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.29 103.21 3.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.52 155.12 1.44 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.779 2.319 . . . . 0.0 112.202 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 125.82 164.08 11.72 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 32.7 m -106.68 156.3 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -150.04 122.13 8.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.471 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 5.1 pt -122.14 117.49 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -179.41 179.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . 0.596 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 7.8 mp0 -85.91 169.11 13.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.59 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.589 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -94.43 144.93 17.44 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . 0.515 ' CH2' ' NH1' ' B' ' 381' ' ' ARG . 37.9 t-105 -134.96 118.25 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . 0.475 ' O ' ' NE2' ' B' ' 187' ' ' GLN . 0.0 OUTLIER -63.55 126.01 26.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.468 ' O ' ' OE1' ' B' ' 187' ' ' GLN . 17.2 t0 -53.57 116.18 2.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.633 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -60.52 -13.91 16.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 190' ' ' THR . . . . . 0.42 ' OG1' ' OD1' ' B' ' 188' ' ' ASP . 0.0 OUTLIER -76.89 118.12 19.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.583 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.81 ' HB2' ' HD2' ' B' ' 192' ' ' PRO . 0.0 OUTLIER -136.7 177.04 2.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.61 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.81 ' HD2' ' HB2' ' B' ' 191' ' ' LEU . 45.4 Cg_endo -71.94 130.02 16.14 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.741 2.294 . . . . 0.0 112.12 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.61 12.76 15.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 46.3 mtt -65.57 -38.37 89.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -98.48 -14.28 20.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.604 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -71.56 -36.44 70.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.631 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.78 146.87 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -117.15 122.97 45.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.569 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . 0.682 HE21 ' H ' ' B' ' 199' ' ' GLN . 0.0 OUTLIER -85.16 130.9 34.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -150.04 142.13 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 30.4 m -84.59 80.82 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 3.7 m -158.78 108.72 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.615 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.856 ' CD1' ' N ' ' B' ' 203' ' ' LEU . 0.0 OUTLIER -91.62 147.3 23.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.748 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -158.16 93.42 2.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -70.5 -12.06 30.88 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.782 2.321 . . . . 0.0 112.13 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -98.41 -43.42 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.533 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' B' ' 211' ' ' ARG . 2.9 tp -85.9 -31.9 21.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.463 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.748 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 81.9 mm-40 -73.07 -59.06 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 30.1 mtp-105 -53.38 -47.91 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.448 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -65.28 -40.56 94.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' B' ' 207' ' ' LEU . 8.9 mtp-105 -55.65 -41.24 73.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.471 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . 0.565 ' C ' ' CD1' ' B' ' 212' ' ' LEU . 3.3 tm? -67.4 -52.62 37.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 96.0 m -52.42 -48.26 65.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.59 -36.44 85.38 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -70.21 -43.8 69.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.698 0.285 . . . . 0.0 110.54 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' B' ' 217' ' ' GLU . 0.0 OUTLIER -57.92 -46.25 85.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.524 ' N ' ' CD2' ' B' ' 216' ' ' LEU . 13.8 tm-20 -61.26 -29.22 69.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.44 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -84.74 -28.2 26.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -90.4 -49.21 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.9 -47.25 80.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.678 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.502 ' ND2' ' HG2' ' B' ' 217' ' ' GLU . 88.8 m-20 -68.56 -30.15 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.689 ' O ' ' CD1' ' B' ' 226' ' ' TYR . 3.7 tm-20 -74.86 -35.64 62.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.497 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -81.55 -47.07 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . 0.405 HH21 ' HD2' ' B' ' 224' ' ' ARG . 30.7 ttm105 -59.99 -48.63 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -68.16 -38.84 82.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.689 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 2.7 m-85 -58.31 -54.08 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.488 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 227' ' ' SER . . . . . 0.477 ' CB ' ' CB ' ' B' ' 242' ' ' PHE . 45.5 m -56.52 -54.73 42.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.479 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -43.84 6.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -47.04 88.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . 0.683 ' O ' ' N ' ' B' ' 234' ' ' ALA . 25.6 m-85 -60.4 -42.36 95.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -49.48 -38.32 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.78 -23.04 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.561 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -115.33 -58.25 0.35 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.683 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -66.17 -147.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.597 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.577 HE21 ' CD ' ' B' ' 237' ' ' GLU . 1.1 pm0 -125.16 -165.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.513 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . 0.608 ' HZ1' ' CB ' ' B' ' 236' ' ' LYS . 0.5 OUTLIER -59.55 -33.58 71.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.581 ' CG ' ' N ' ' B' ' 238' ' ' THR . 8.4 pt-20 -41.04 -46.77 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.663 ' O ' ' CG1' ' B' ' 241' ' ' ILE . 12.9 p -70.23 -48.64 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -65.04 -27.85 69.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 236' ' ' LYS . . . -67.68 -48.21 67.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.541 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . 0.911 ' O ' ' HG ' ' B' ' 244' ' ' LEU . 6.5 pt -59.97 -60.29 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.748 ' H ' HG13 ' B' ' 241' ' ' ILE . 0.0 OUTLIER -46.17 -58.43 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.587 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.619 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 64.9 t0 -33.01 -55.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . 0.911 ' HG ' ' O ' ' B' ' 241' ' ' ILE . 4.2 pp -79.34 -46.77 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.674 ' N ' ' CD1' ' B' ' 244' ' ' LEU . 0.1 OUTLIER -45.92 -56.78 5.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 2.0 p -55.6 -49.56 72.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.49 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.52 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 17.1 m-70 -67.84 -23.77 65.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.742 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 0.4 OUTLIER -71.46 -50.49 31.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.534 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . 0.577 ' C ' ' CD1' ' B' ' 249' ' ' LEU . 3.2 tm? -80.62 -40.81 25.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 250' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' B' ' 247' ' ' HIS . 60.7 p -63.53 -23.27 67.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.941 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 12.6 p30 -49.49 131.42 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 71.4 p -68.82 3.17 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.42 ' H ' ' C ' ' B' ' 251' ' ' ASP . 54.9 ttp85 -75.37 -44.2 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . 0.408 ' HB3' HH11 ' B' ' 255' ' ' ARG . 1.0 OUTLIER -73.05 -50.58 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.551 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.881 ' HE ' ' N ' ' B' ' 255' ' ' ARG . 0.5 OUTLIER -48.05 -53.06 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -60.33 -44.03 95.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.674 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -54.1 -50.82 65.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.4 -59.25 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' B' ' 259' ' ' PHE . 2.0 m-85 -52.43 -33.88 46.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.68 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.43 86.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.66 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.11 -41.59 85.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 87.2 t -67.18 -33.28 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.519 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.65 -20.62 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.521 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -94.71 -18.96 20.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 123.76 19.51 2.75 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 75.1 m -90.94 155.57 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.478 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.422 HG12 ' H ' ' B' ' 269' ' ' GLU . 57.8 t -97.86 146.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.624 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . 0.489 ' CB ' ' OE1' ' B' ' 208' ' ' GLU . . . -50.98 -46.27 61.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.428 ' CD ' HH12 ' B' ' 211' ' ' ARG . 1.4 mp0 -43.6 -58.74 2.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -40.59 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.492 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . . . . . . . . . . . -54.94 -44.35 74.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.487 ' O ' HG12 ' B' ' 276' ' ' ILE . 94.3 t -64.03 -35.1 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -80.7 -38.47 28.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 69.0 m -68.8 -53.45 21.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.656 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.705 HG13 ' H ' ' B' ' 276' ' ' ILE . 11.5 p -48.93 -56.99 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.705 ' H ' HG13 ' B' ' 275' ' ' VAL . 28.3 pt -57.49 -39.8 71.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.505 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 55.1 mm-40 -68.22 -36.32 79.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -70.13 -35.27 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . 0.843 ' O ' ' CD2' ' B' ' 283' ' ' PHE . 14.6 m-85 -83.37 -23.44 32.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . 0.82 ' O ' ' CB ' ' B' ' 284' ' ' ALA . . . -62.3 -47.35 84.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 14.9 mp0 -83.94 -21.5 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . 0.542 ' OE1' ' CD2' ' B' ' 279' ' ' PHE . 51.6 tt0 -58.04 -60.83 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.843 ' CD2' ' O ' ' B' ' 279' ' ' PHE . 30.0 p90 -86.15 -32.45 21.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . 0.82 ' CB ' ' O ' ' B' ' 280' ' ' ALA . . . -57.38 -14.8 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.74 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.12 177.6 8.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 83.8 p -102.58 -20.14 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.785 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 44.7 p-10 -52.15 96.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.514 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.89 -46.8 61.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.572 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . 0.411 ' CZ ' ' ND1' ' A' ' 16' ' ' HIS . 30.6 t80 -54.03 -21.99 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.554 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 294' ' ' ARG . 0.3 OUTLIER -118.22 -48.02 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.785 ' CB ' ' O ' ' B' ' 288' ' ' ASP . 39.5 tttt -40.14 -39.89 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.463 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' B' ' 295' ' ' ALA . 8.6 mt-10 -53.25 -20.88 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' B' ' 291' ' ' LEU . 34.4 ttm-85 -38.67 -30.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -39.39 -53.81 1.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.443 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -50.74 -44.29 48.01 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . 0.5 ' O ' ' OH ' ' B' ' 245' ' ' TYR . 3.2 m-20 -71.36 -44.89 64.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.48 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -54.93 40.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.331 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . 0.402 HH21 ' HD3' ' B' ' 299' ' ' ARG . 25.9 ttp-105 -53.74 -40.7 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.401 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -61.58 -37.96 85.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . 0.618 ' HG ' ' N ' ' B' ' 302' ' ' GLY . 0.1 OUTLIER -56.27 -41.7 76.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.407 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . 0.618 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -59.89 -42.67 98.29 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . 0.401 HE21 ' N ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -59.43 -39.72 84.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.377 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.588 ' NH2' ' OE1' ' B' ' 337' ' ' GLU . 0.0 OUTLIER -66.04 -41.7 90.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.375 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.17 -39.95 78.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.366 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . 0.582 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.1 OUTLIER -65.52 -40.69 93.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -69.48 -40.18 77.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.454 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 74.7 m-70 -73.51 -22.05 60.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 3.9 mt -75.28 -13.5 60.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.582 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 5.1 m-20 -123.02 108.35 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -49.64 -21.22 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.574 ' C ' ' H ' ' B' ' 314' ' ' GLN . . . -75.11 -11.38 60.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.663 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' B' ' 314' ' ' GLN . 70.1 m-80 62.84 -43.67 0.19 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.582 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . 0.574 ' H ' ' C ' ' B' ' 312' ' ' ALA . 14.6 mt-30 75.88 102.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.526 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . 0.567 ' O ' ' O ' ' B' ' 316' ' ' PRO . . . 90.33 63.31 1.24 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 315' ' ' GLY . 52.7 Cg_exo -47.56 -163.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.903 2.402 . . . . 0.0 112.073 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' B' ' 316' ' ' PRO . 0.7 OUTLIER 37.1 51.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.614 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -80.7 -21.89 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -108.93 102.16 47.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -72.32 175.43 10.01 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.777 2.318 . . . . 0.0 112.082 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -100.58 -59.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.812 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 7.4 ptm180 -142.21 100.31 3.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.638 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.812 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 83.6 m-85 -163.57 167.33 21.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . 0.466 HG13 ' HA2' ' B' ' 185' ' ' GLY . 1.6 pp -102.07 156.97 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.475 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 4.6 tp -91.39 123.09 34.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.621 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.78 90.92 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -122.2 155.24 36.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 41.8 p30 -73.2 -17.45 61.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.441 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 19.1 tp10 -149.98 133.05 16.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.533 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 4.4 mt -86.7 118.8 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 331' ' ' SER . . . . . 0.619 ' OG ' ' OG1' ' B' ' 334' ' ' THR . 32.6 p -116.43 131.0 57.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.523 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.04 -38.79 62.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.558 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 90.9 m -58.2 -43.34 87.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 334' ' ' THR . . . . . 0.619 ' OG1' ' OG ' ' B' ' 331' ' ' SER . 91.1 m -59.0 -52.43 65.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.537 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.449 ' CD2' ' C ' ' B' ' 335' ' ' LEU . 9.0 tt -49.65 -46.8 50.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -74.11 6.79 3.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.588 ' OE1' ' NH2' ' B' ' 304' ' ' ARG . 1.2 tt0 -104.17 -40.16 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.59 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 1.8 tp -106.0 118.42 55.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.69 136.42 21.55 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.851 2.367 . . . . 0.0 112.004 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.86 -31.85 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.635 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -46.47 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.427 ' N ' ' HD3' ' B' ' 342' ' ' ARG . 18.8 mmt180 -75.73 -18.17 59.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' B' ' 345' ' ' GLY . 50.5 tp -90.87 106.04 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.475 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 11.3 m -109.46 14.68 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.633 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' B' ' 343' ' ' LEU . . . 176.98 155.48 13.68 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 1.3 t -143.65 137.39 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.583 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.56 126.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 9.8 p -125.88 149.5 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . 0.474 HH11 ' C ' ' B' ' 373' ' ' ASP . 57.1 mtp180 -88.18 -39.63 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.488 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.43 80.8 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.587 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -123.96 130.87 7.78 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -95.63 140.67 30.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.75 -27.5 65.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.555 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.63 -3.3 49.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 58.9 m -73.55 143.33 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -60.35 -39.35 86.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.475 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.12 90.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.48 94.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.661 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.403 HD13 HG23 ' B' ' 359' ' ' ILE . 68.6 mt -65.13 -38.84 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.625 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 55.5 mtt -64.22 -48.55 75.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.59 -43.86 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 12.7 ttp-105 -62.59 -46.18 89.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.63 -30.62 71.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.56 -32.38 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.22 32.62 9.47 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . 0.478 HD13 HG22 ' B' ' 366' ' ' ILE . 4.6 mm -104.96 121.27 47.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.657 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.31 120.9 4.77 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.845 2.364 . . . . 0.0 112.147 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 84.9 m -149.42 148.53 29.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.6 151.34 26.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.561 ' O ' ' N ' ' B' ' 174' ' ' LEU . 0.6 OUTLIER -124.8 160.32 28.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.62 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.71 -0.74 58.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -54.42 110.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . 0.474 ' C ' HH11 ' B' ' 349' ' ' ARG . 60.2 m-20 -99.95 56.61 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . 0.524 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 0.1 OUTLIER -133.49 155.61 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -95.26 105.29 18.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . 0.524 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 51.8 Cg_exo -47.99 -28.09 9.84 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.822 2.348 . . . . 0.0 112.173 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 47.7 t -55.45 -49.09 73.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.624 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.7 -35.08 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.553 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.63 ' O ' ' N ' ' B' ' 381' ' ' ARG . 16.1 mt -83.8 -46.8 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.589 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.2 OUTLIER 52.18 -78.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.63 ' N ' ' O ' ' B' ' 379' ' ' LEU . 1.4 mpt_? -132.51 25.03 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -71.69 175.7 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.621 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 37.9 m -83.74 129.76 34.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 3.3 mp -122.26 145.71 47.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.632 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 82.9 mt -130.69 100.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.556 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 49.2 t -93.46 147.95 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.8 t0 -140.36 82.81 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.59 -45.88 30.1 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -47.67 -43.23 26.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.615 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' B' ' 391' ' ' GLY . 11.5 mmp_? -108.9 6.65 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.638 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 35.93 61.31 0.78 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . 0.509 ' HG2' ' N ' ' B' ' 393' ' ' LEU . 34.3 tt0 -135.01 160.77 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.53 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . 0.509 ' N ' ' HG2' ' B' ' 392' ' ' GLU . 3.8 tt -127.74 109.64 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.464 ' HA ' ' H ' ' B' ' 170' ' ' ARG . 18.4 mt -95.49 161.18 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.784 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 94.0 t -126.86 102.05 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.511 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.624 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.4 OUTLIER 18.84 52.4 0.1 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.594 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.784 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 40.6 Cg_endo -70.61 -177.04 1.95 Allowed 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.817 2.345 . . . . 0.0 112.109 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -57.93 139.21 82.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.77 -14.2 26.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.732 2.288 . . . . 0.0 112.136 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . 0.504 HG12 ' H ' ' B' ' 401' ' ' LEU . 8.4 p -77.56 -43.26 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.632 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . 0.504 ' H ' HG12 ' B' ' 400' ' ' VAL . 0.1 OUTLIER -60.76 -53.11 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.611 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.51 -27.75 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -60.65 -58.08 9.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.517 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . 0.675 ' O ' ' N ' ' B' ' 407' ' ' ARG . 14.4 tt0 -72.09 -48.48 43.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.539 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' B' ' 404' ' ' GLU . 18.2 t80 -33.94 -45.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.609 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -66.89 -34.52 77.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.499 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.675 ' N ' ' O ' ' B' ' 404' ' ' GLU . 9.7 ttp180 -73.37 -35.55 65.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.545 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 44.7 mt -73.1 -49.45 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -31.17 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.597 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 86.7 p -88.24 -22.15 24.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -113.24 27.92 9.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.561 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' B' ' 413' ' ' ILE . 14.2 tp10 -152.19 -110.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 0.615 ' O ' ' C ' ' B' ' 414' ' ' GLU . 14.2 pt -67.8 50.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.546 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 0.615 ' C ' ' O ' ' B' ' 413' ' ' ILE . 43.9 tp10 -18.11 -90.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.32 -82.06 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.546 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.8 p -104.01 31.15 4.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . 0.655 ' O ' ' N ' ' B' ' 419' ' ' ALA . 0.4 OUTLIER -76.69 -64.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.647 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' B' ' 419' ' ' ALA . 0.7 OUTLIER 54.04 -74.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . 0.655 ' N ' ' O ' ' B' ' 417' ' ' ARG . . . 77.64 24.93 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 60.69 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' B' ' 419' ' ' ALA . 23.3 t0 52.93 98.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.486 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.652 ' O ' ' C ' ' B' ' 423' ' ' VAL . 34.4 p30 -169.54 143.87 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.574 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . 0.652 ' C ' ' O ' ' B' ' 422' ' ' ASP . 2.7 t 14.59 71.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.592 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.411 ' HG1' ' N ' ' A' ' 3' ' ' VAL . 5.0 t -84.15 158.87 21.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.492 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.411 ' N ' ' HG1' ' A' ' 2' ' ' THR . 1.0 OUTLIER -132.63 119.6 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.497 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -126.28 172.79 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.658 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -162.47 133.73 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 p -80.17 129.06 34.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.48 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 m -129.85 123.6 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 58.1 mp0 -79.62 127.01 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.635 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.431 HG22 ' HG ' ' A' ' 13' ' ' LEU . 19.2 mm -89.95 104.83 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 10' ' ' THR . 61.0 m -81.31 55.52 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.507 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.2 t30 61.99 25.82 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.504 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' A' ' 14' ' ' GLY . 12.8 tptt -164.4 94.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.582 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' HG ' HG22 ' A' ' 9' ' ' ILE . 15.9 mt -59.84 -0.08 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.432 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 1.045 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 73.77 27.49 66.93 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 1.36 ' HA ' ' CD ' ' A' ' 19' ' ' PRO . 1.7 ptp -133.35 -86.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.699 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.737 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 2.8 t60 67.92 5.25 4.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.475 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.737 ' CB ' ' O ' ' A' ' 16' ' ' HIS . . . 140.84 39.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.523 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.767 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 3.6 mtp180 -160.01 -68.74 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.679 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 1.36 ' CD ' ' HA ' ' A' ' 15' ' ' MET . 50.2 Cg_exo -48.88 -62.32 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.945 2.43 . . . . 0.0 112.182 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.847 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -53.17 -44.69 68.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.7 tpt -69.03 -42.27 76.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 12.4 tptt -60.65 -39.24 87.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.599 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tt -48.33 -46.66 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -55.79 -40.92 73.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.5 -36.12 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.708 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.88 -42.18 85.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 49.4 ttm -55.73 -31.45 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -82.55 -34.2 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.68 -32.26 42.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -104.52 155.09 19.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 0.0 110.581 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.828 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -99.13 93.61 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.686 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.586 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 168.51 156.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.21 129.58 46.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.1 t -107.22 133.6 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 72.5 mt -135.34 138.17 43.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.581 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mp -108.47 150.66 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -146.73 135.48 22.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.622 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -92.48 154.1 18.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -51.66 -26.55 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.63 -10.0 56.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.69 12.01 59.9 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.1 m -85.33 116.77 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.489 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 2.2 pm0 -77.98 103.49 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.6 65.41 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.546 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -40.55 121.14 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.563 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.69 -10.51 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.616 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.8 28.76 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.539 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -146.51 122.88 10.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 m -62.93 -36.59 76.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.467 ' HB ' ' CZ ' ' B' ' 283' ' ' PHE . 3.5 tt -61.23 -36.45 72.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.86 -42.96 89.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.847 HD22 ' HB1' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -58.51 -38.1 76.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.589 ' O ' ' CD2' ' B' ' 291' ' ' LEU . 7.3 mp -64.84 -36.64 84.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.658 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 46.3 mtt -67.62 -38.75 84.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.46 -35.47 77.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 5.4 m-20 -52.64 -34.35 50.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.56 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.0 p -77.85 -6.25 53.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.02 28.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.54 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HG3' ' HZ2' ' A' ' 59' ' ' LYS . 4.5 mmtp -68.96 97.35 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.48 5.36 39.74 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.26 164.64 11.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.607 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -97.56 144.21 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.643 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.534 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -131.89 161.11 41.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.538 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.534 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.9 mt-10 -123.12 102.11 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 4.2 t -82.02 127.5 39.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -119.65 141.06 49.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.52 129.52 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.677 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 9.9 t -120.31 141.47 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.577 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.586 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 133.04 -177.37 18.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.828 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 49.0 Cg_endo -72.4 -36.93 4.76 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.807 2.338 . . . . 0.0 112.155 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.492 ' NE2' ' HG3' ' A' ' 74' ' ' GLU . 23.5 mm100 -97.85 3.01 49.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.58 ' CD ' ' N ' ' A' ' 73' ' ' GLU . 1.5 pp20? -35.34 -42.72 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.599 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.58 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 16.1 tm-20 -58.45 -49.98 75.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.492 ' HG3' ' NE2' ' A' ' 71' ' ' GLN . 69.9 mm-40 -58.14 -50.93 71.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.532 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.79 -49.29 75.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.7 -44.07 91.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.44 99.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.98 98.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.32 -42.72 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.4 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 65.4 mt -64.59 -41.4 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.437 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.21 83.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.477 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 82' ' ' LEU . 5.4 mp -73.11 -37.51 66.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.65 -33.06 72.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.46 HD21 ' N ' ' A' ' 84' ' ' ASN . 1.4 m-80 -81.47 -5.21 57.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.65 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 18.4 ttp85 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 49.2 mt -114.36 134.75 56.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.15 109.6 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . 0.641 ' CB ' ' O ' ' B' ' 370' ' ' MET . . . -114.08 153.47 29.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.584 ' N ' ' O ' ' B' ' 370' ' ' MET . 80.1 mt -66.37 112.63 9.75 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -72.76 110.74 3.08 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.9 2.4 . . . . 0.0 112.16 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . 0.526 ' O ' ' HD3' ' B' ' 362' ' ' ARG . . . -83.24 -38.48 22.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . 0.411 ' O ' ' HA3' ' B' ' 388' ' ' GLY . . . -133.45 131.83 21.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.14 144.4 42.03 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.779 2.32 . . . . 0.0 112.167 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 135.93 164.55 10.33 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.9 p -126.09 145.92 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 110.477 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -152.32 150.74 30.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 2.1 pt -130.04 134.85 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 178.67 177.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' B' ' 381' ' ' ARG . 65.5 mm-40 -78.8 158.69 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -95.01 144.28 17.1 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -146.47 108.83 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.542 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.91 142.08 58.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -58.23 118.65 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.486 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -63.49 -15.11 56.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.682 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 190' ' ' THR . . . . . 0.535 ' C ' ' O ' ' B' ' 189' ' ' ALA . 0.9 OUTLIER -29.0 100.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.518 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.435 HD21 ' O ' ' B' ' 192' ' ' PRO . 6.9 tt -146.21 115.53 4.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.545 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.435 ' O ' HD21 ' B' ' 191' ' ' LEU . 52.1 Cg_exo -47.81 148.81 5.85 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.851 2.367 . . . . 0.0 112.021 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . 0.66 ' N ' ' CD2' ' B' ' 193' ' ' LEU . 0.8 OUTLIER -98.55 6.85 46.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -48.12 -36.29 13.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -83.79 -38.46 21.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.38 -23.14 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . . . . . . . . . 89.7 t -73.03 133.46 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.494 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.7 156.24 20.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.548 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.37 107.03 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -126.75 139.28 53.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.556 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' SER . . . . . 0.536 ' C ' ' HG1' ' B' ' 202' ' ' THR . 31.4 m -137.22 81.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.603 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' THR . . . . . 0.536 ' HG1' ' C ' ' B' ' 201' ' ' SER . 6.6 m -151.25 116.64 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.557 ' CD2' ' O ' ' B' ' 203' ' ' LEU . 0.5 OUTLIER -80.12 126.91 31.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.587 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -148.96 78.45 8.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.015 0.436 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -46.93 -17.55 0.42 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.917 2.411 . . . . 0.0 112.076 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -82.9 -55.63 4.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 4.9 mt -76.66 -38.66 54.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -63.66 -56.97 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' B' ' 212' ' ' LEU . 46.8 ttp180 -55.63 -41.75 73.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.482 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -72.4 -36.92 68.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.401 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.498 HH12 ' CD ' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -52.4 -53.73 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.363 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . 0.693 ' HG ' ' H ' ' B' ' 213' ' ' THR . 2.3 pp -66.18 -45.65 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.383 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 213' ' ' THR . . . . . 0.693 ' H ' ' HG ' ' B' ' 212' ' ' LEU . 57.1 m -58.93 -52.06 67.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.19 -35.52 88.1 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.28 -41.28 66.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.403 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.667 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.4 tp -56.4 -52.07 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.448 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.536 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 2.6 mm-40 -50.48 -34.05 23.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.362 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -81.58 -36.33 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.358 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -83.49 -50.7 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.76 -46.59 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 94.4 m-20 -62.79 -31.64 72.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.355 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 3.6 tt0 -66.26 -42.04 89.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.444 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -66.19 -44.2 84.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -62.97 -42.58 99.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . 0.417 ' C ' ' NH2' ' B' ' 229' ' ' ARG . 73.4 mtm-85 -70.25 -33.49 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -59.49 -59.2 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.73 -45.2 39.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.513 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -62.51 -38.94 91.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.432 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . 0.417 ' NH2' ' C ' ' B' ' 225' ' ' ARG . 0.0 OUTLIER -73.1 -42.65 62.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . 0.614 ' O ' ' CB ' ' B' ' 234' ' ' ALA . 6.1 m-85 -66.94 -45.09 78.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.47 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.36 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.04 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -169.49 51.32 0.21 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' B' ' 230' ' ' PHE . . . -144.54 174.41 10.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 0.0 110.575 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.405 ' HB3' ' HG1' ' B' ' 238' ' ' THR . 61.3 tt0 -63.18 151.53 40.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -67.27 -41.77 84.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.509 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.59 -50.57 59.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.471 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -54.27 -52.7 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -52.91 -42.89 65.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -67.25 -27.06 66.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . 0.471 ' HB ' ' O ' ' B' ' 238' ' ' THR . 0.9 OUTLIER -65.4 -53.14 43.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.429 ' N ' HG23 ' B' ' 241' ' ' ILE . 56.0 m-85 -61.59 -57.63 11.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -44.56 -48.12 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.469 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . 0.415 ' CD2' HH11 ' B' ' 294' ' ' ARG . 17.3 tp -65.98 -37.78 86.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -71.0 -40.62 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.608 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 3.7 p -44.34 -45.84 9.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.545 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.527 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 7.4 t-80 -73.61 -27.44 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.559 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 8.9 tt -67.45 -48.23 67.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.616 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -41.9 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.635 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 55.6 p -76.53 -12.72 60.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.613 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.871 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 19.9 p-10 -52.67 123.51 11.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 69.4 p -56.7 -1.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.564 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.675 ' HE ' ' N ' ' B' ' 254' ' ' LEU . 0.5 OUTLIER -80.64 -55.8 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.525 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . 0.675 ' N ' ' HE ' ' B' ' 253' ' ' ARG . 3.7 tt -65.42 -41.84 93.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.409 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 76.7 mtp180 -60.68 -44.91 95.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.62 -39.69 84.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.591 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.26 -54.35 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.603 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . 0.656 ' HG ' ' N ' ' B' ' 259' ' ' PHE . 0.6 OUTLIER -64.64 -42.05 95.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.606 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . 0.656 ' N ' ' HG ' ' B' ' 258' ' ' LEU . 39.4 t80 -62.94 -37.42 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.96 89.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . 0.441 ' C ' ' OG ' ' B' ' 266' ' ' SER . 1.6 mp0 -64.01 -39.51 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.0 -40.68 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.638 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -11.6 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -94.33 -19.5 20.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 126.09 11.3 3.92 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 266' ' ' SER . . . . . 0.441 ' OG ' ' C ' ' B' ' 261' ' ' GLU . 51.8 p -93.01 162.91 13.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.362 . . . . 0.0 110.617 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' B' ' 271' ' ' ALA . 3.5 t -98.44 149.64 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -56.71 -40.93 76.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.498 ' CD ' HH12 ' B' ' 211' ' ' ARG . 0.4 OUTLIER -49.25 -57.67 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -76.42 -44.39 36.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.464 ' O ' ' CG2' ' B' ' 275' ' ' VAL . . . -53.1 -44.41 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.7 ' O ' ' CG2' ' B' ' 276' ' ' ILE . 70.4 t -68.52 -27.45 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.84 -29.98 24.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 85.4 m -77.39 -48.41 17.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.644 HG22 ' H ' ' B' ' 276' ' ' ILE . 31.4 m -65.11 -48.74 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.7 ' CG2' ' O ' ' B' ' 272' ' ' VAL . 2.3 pp -63.83 -21.77 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.565 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.53 -34.27 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.622 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' B' ' 282' ' ' GLN . 0.3 OUTLIER -72.65 -46.7 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' B' ' 280' ' ' ALA . 0.1 OUTLIER -74.73 -19.3 60.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . 0.619 ' N ' ' CD2' ' B' ' 279' ' ' PHE . . . -72.46 -38.09 68.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -87.07 -28.62 22.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.654 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' B' ' 278' ' ' LYS . 1.3 mm100 -58.29 -48.07 81.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.539 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 2.5 m-30 -66.74 -34.25 77.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -60.61 -37.1 80.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -39.32 -24.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.615 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' B' ' 284' ' ' ALA . 4.1 mm? -60.78 163.8 5.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 287' ' ' SER . . . . . 0.451 ' O ' ' C ' ' B' ' 288' ' ' ASP . 15.4 m -100.33 -44.58 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' B' ' 287' ' ' SER . 0.7 OUTLIER -35.69 134.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.676 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.26 -45.61 93.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.527 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . 0.681 ' HH ' ' NH1' ' B' ' 294' ' ' ARG . 61.2 t80 -56.95 -27.67 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.589 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 2.3 mp -81.31 -63.35 1.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.492 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -42.28 -42.3 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.466 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' B' ' 290' ' ' TYR . 20.6 pt-20 -70.46 -36.0 73.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.681 ' NH1' ' HH ' ' B' ' 290' ' ' TYR . 1.9 tpt180 -57.65 -37.34 73.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.09 63.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.348 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -51.64 -44.94 54.66 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.92 -39.44 94.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.387 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.37 -47.95 83.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.338 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -50.64 -42.61 56.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.314 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . 0.677 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -65.05 -36.01 82.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.294 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 9.8 tt -53.15 -44.87 68.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.429 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.17 -38.53 96.66 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -44.27 90.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.346 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 12.0 mtp85 -65.63 -39.16 91.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.383 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 13.5 tp -68.13 -40.16 82.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.409 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.72 -38.49 91.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.43 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -44.38 93.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.405 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . 0.429 ' HA ' HD22 ' B' ' 313' ' ' ASN . 28.1 m170 -69.69 -23.8 63.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.88 -14.17 20.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.455 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.26 117.41 26.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -52.75 -15.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.644 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.68 ' O ' ' C ' ' B' ' 313' ' ' ASN . . . -59.32 -29.65 67.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.533 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.68 ' C ' ' O ' ' B' ' 312' ' ' ALA . 69.1 m-20 6.1 -88.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.541 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . 0.869 HE21 ' H ' ' B' ' 315' ' ' GLY . 0.0 OUTLIER 64.46 -99.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.638 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . 0.869 ' H ' HE21 ' B' ' 314' ' ' GLN . . . 117.76 95.22 1.77 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -72.56 -10.72 25.62 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.775 2.317 . . . . 0.0 112.155 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -73.72 79.88 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . 0.667 ' O ' ' HD3' ' B' ' 320' ' ' PRO . . . -71.44 116.57 11.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.467 ' C ' ' O ' ' B' ' 318' ' ' ALA . 0.0 OUTLIER -33.43 90.59 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.59 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . 0.667 ' HD3' ' O ' ' B' ' 318' ' ' ALA . 49.2 Cg_endo -72.68 179.18 5.45 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.901 2.401 . . . . 0.0 112.042 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.19 -54.89 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -161.95 146.91 12.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.607 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 3.6 m-85 -159.32 162.68 36.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . 0.452 HD12 HG23 ' B' ' 324' ' ' ILE . 87.1 mt -116.54 145.48 22.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 3.2 tp -91.97 130.15 37.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 39.9 t -133.62 94.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -130.77 152.11 50.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -63.84 -31.58 72.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.523 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -139.24 115.44 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.455 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.501 ' H ' HD22 ' B' ' 330' ' ' LEU . 1.4 pt? -82.85 142.2 31.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.479 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 331' ' ' SER . . . . . 0.406 ' HG ' ' H ' ' B' ' 333' ' ' THR . 29.3 t -145.67 142.2 28.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -52.58 -35.81 54.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 333' ' ' THR . . . . . 0.677 ' OG1' ' CB ' ' B' ' 300' ' ' ALA . 2.0 t -54.14 -40.24 67.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 334' ' ' THR . . . . . 0.484 ' N ' ' CG2' ' B' ' 333' ' ' THR . 62.7 m -66.56 -52.13 48.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' B' ' 337' ' ' GLU . 65.0 tp -61.53 -43.04 99.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.12 2.16 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' B' ' 335' ' ' LEU . 32.0 tt0 -108.68 -32.72 7.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.548 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.51 126.13 30.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.613 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.73 141.73 15.39 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.755 2.303 . . . . 0.0 112.161 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . 0.509 ' CD ' ' H ' ' B' ' 340' ' ' GLN . 21.9 mp0 -73.33 -12.58 60.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -41.61 80.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.29 -24.17 26.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.466 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 6.7 tt -90.94 103.08 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.507 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 7.3 t -123.12 27.06 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.669 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -178.43 145.27 6.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 58.8 t -141.89 143.07 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.592 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 1.9 p -152.61 115.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.682 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.423 HG22 ' H ' ' B' ' 349' ' ' ARG . 8.6 p -110.94 157.57 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.528 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . 0.552 ' NH2' ' O ' ' B' ' 374' ' ' ILE . 70.1 mtp85 -74.56 -38.18 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.584 ' O ' ' C ' ' B' ' 351' ' ' GLY . 0.1 OUTLIER 174.3 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 23.58 -102.97 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -118.25 130.2 55.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.529 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.38 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -132.48 96.01 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.9 158.78 22.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -53.69 -41.6 67.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.631 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.74 95.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . 0.482 ' CB ' HH11 ' B' ' 362' ' ' ARG . . . -55.72 -48.44 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.21 -34.8 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 2.7 mtm -67.32 -44.36 79.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.61 -44.45 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' B' ' 176' ' ' ALA . 2.2 mtm180 -60.14 -44.2 95.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.92 -28.0 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.55 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 14.9 mt -68.49 -27.51 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.57 39.36 5.94 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 67.8 mt -121.75 122.13 27.94 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.895 0.379 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.68 134.84 22.09 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.836 2.357 . . . . 0.0 112.019 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 99.4 m -148.38 147.85 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.55 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.65 155.02 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.641 ' O ' ' CB ' ' B' ' 173' ' ' ALA . 2.0 mtt -136.7 162.59 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.41 62.12 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -63.18 113.73 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -104.42 45.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . 0.652 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 8.4 tp -115.32 142.17 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.666 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -75.06 107.43 3.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . 0.652 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 50.9 Cg_exo -48.51 -33.32 23.09 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.954 2.436 . . . . 0.0 112.086 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 88.4 p -47.48 -44.64 25.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 85.5 t -69.89 -32.38 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.506 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.603 ' O ' ' N ' ' B' ' 381' ' ' ARG . 7.6 mp -65.81 -33.08 75.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.4 OUTLIER 27.88 -89.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.603 ' N ' ' O ' ' B' ' 379' ' ' LEU . 96.9 mtt-85 -135.72 20.73 3.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.43 170.58 10.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 383' ' ' THR . . . . . 0.577 ' OG1' ' HB3' ' B' ' 396' ' ' ASP . 0.0 OUTLIER -79.63 128.32 33.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . 0.61 HD12 ' O ' ' B' ' 394' ' ' LEU . 23.9 tp -133.09 114.81 14.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 13.0 tt -107.12 120.75 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 22.4 m -108.31 150.06 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 391' ' ' GLY . 52.7 t0 -133.39 88.02 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -50.26 -44.39 43.77 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -39.38 -51.33 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 110.562 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . 0.407 HH21 ' CG ' ' B' ' 390' ' ' ARG . 0.0 OUTLIER -117.33 17.16 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.488 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 38.57 62.0 1.2 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -116.01 142.49 46.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.634 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 34.3 tp -120.87 124.58 45.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.506 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.61 ' O ' HD12 ' B' ' 384' ' ' LEU . 0.5 OUTLIER -121.25 150.43 41.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.729 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 1.14 ' O ' ' HD3' ' B' ' 397' ' ' PRO . 21.1 m -119.37 118.8 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.61 ' C ' ' O ' ' B' ' 395' ' ' VAL . 8.6 p-10 -21.58 68.73 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.579 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 1.14 ' HD3' ' O ' ' B' ' 395' ' ' VAL . 40.5 Cg_endo -70.38 -147.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.863 2.375 . . . . 0.0 112.084 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . 0.76 ' CB ' ' CD ' ' B' ' 399' ' ' PRO . 3.8 mm-40 -98.63 -166.75 0.11 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.529 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . 0.76 ' CD ' ' CB ' ' B' ' 398' ' ' GLU . 51.4 Cg_exo -48.51 -22.81 4.58 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.785 2.323 . . . . 0.0 112.098 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . 0.646 ' O ' ' N ' ' B' ' 403' ' ' GLN . 4.2 m -52.88 -31.48 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' B' ' 400' ' ' VAL . 7.3 tt -31.25 -48.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.97 -38.8 79.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.66 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . 0.646 ' N ' ' O ' ' B' ' 400' ' ' VAL . 98.1 mm-40 -60.8 -40.08 91.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.529 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -64.12 -47.28 80.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.13 -38.74 92.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.33 -40.36 74.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -63.32 -36.21 82.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.519 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' B' ' 412' ' ' GLU . 29.6 mt -71.88 -41.6 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.542 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 4.7 mm -50.27 -37.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.618 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 60.2 p -87.59 -16.09 35.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -119.24 16.78 13.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.586 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . 0.705 ' N ' ' O ' ' B' ' 408' ' ' LEU . 3.0 tt0 -113.72 -108.36 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 0.822 ' CG2' ' H ' ' B' ' 414' ' ' GLU . 95.9 mt -103.58 -125.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 0.822 ' H ' ' CG2' ' B' ' 413' ' ' ILE . 0.1 OUTLIER -167.08 73.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.644 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 9.2 mt -79.06 -30.02 43.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 416' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' B' ' 417' ' ' ARG . 3.7 t -110.33 -95.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . 0.467 HH21 ' HB2' ' B' ' 418' ' ' LEU . 0.0 OUTLIER -146.86 -41.75 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.456 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . 0.533 ' O ' ' CB ' ' B' ' 419' ' ' ALA . 51.2 tp -180.0 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' B' ' 418' ' ' LEU . . . 158.48 51.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' B' ' 421' ' ' ASP . 98.1 mt-10 46.22 -93.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' B' ' 419' ' ' ALA . 8.8 t0 38.94 -157.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.59 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.447 ' H ' ' CG ' ' B' ' 421' ' ' ASP . 93.9 m-20 48.93 22.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.507 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.2 -30.04 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.541 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.4 p -83.31 158.2 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.3 t -132.14 117.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 2.7 pttt -124.56 172.72 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -162.39 132.74 4.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.45 129.92 35.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.714 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.63 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 27.9 m -130.87 123.8 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -80.64 126.45 31.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.8 mm -89.12 104.87 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.472 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.688 ' O ' HG22 ' A' ' 10' ' ' THR . 20.8 m -82.62 57.13 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 10' ' ' THR . 80.4 m-20 62.63 23.87 14.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -164.79 99.57 0.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -5.12 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.51 ' O ' ' HG2' ' A' ' 19' ' ' PRO . . . 120.28 138.03 5.53 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.596 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 4.2 tpp 41.46 -142.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' C ' ' H ' ' A' ' 18' ' ' ARG . 7.9 t-160 -128.26 76.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 73.28 -20.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.53 ' H ' ' C ' ' A' ' 16' ' ' HIS . 3.7 mpt_? -47.92 -50.67 52.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.594 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.596 ' HD3' ' HB3' ' A' ' 15' ' ' MET . 50.1 Cg_exo -48.56 -51.56 10.07 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.832 2.355 . . . . 0.0 112.102 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.13 91.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 21' ' ' MET . 1.8 tmt? -66.06 -41.49 90.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -63.26 -37.56 87.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.549 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 tp -49.37 -45.88 46.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.593 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CD1' ' CE1' ' B' ' 247' ' ' HIS . 0.3 OUTLIER -57.43 -39.06 75.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.622 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -74.36 -33.98 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.374 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 22' ' ' LYS . 3.4 mm? -68.08 -42.53 80.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.594 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.6 mtp -56.04 -34.03 65.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -79.16 -33.35 44.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.587 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.87 -30.16 39.87 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . 18.3 m-30 -107.82 151.26 25.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.471 ' H ' ' CD ' ' A' ' 71' ' ' GLN . 65.8 t0 -95.06 96.71 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.788 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 165.34 154.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.529 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -99.57 129.55 45.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.656 ' O ' HD12 ' A' ' 35' ' ' LEU . 35.5 m -106.99 132.21 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.496 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.712 ' N ' HD21 ' A' ' 35' ' ' LEU . 1.7 mm? -133.42 138.59 46.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.18 150.87 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.833 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.39 134.12 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.41 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 14.8 t-20 -90.4 156.94 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.461 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -53.4 -28.06 27.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -67.36 -11.17 57.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.67 11.5 59.17 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.9 p -84.34 117.21 23.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -78.13 102.97 7.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.558 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.07 65.54 7.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -40.91 121.17 1.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.624 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.42 -10.79 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -99.8 29.8 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.44 122.49 10.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.58 -36.01 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.674 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 51' ' ' ALA . 30.1 pt -61.15 -38.19 79.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.626 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 50' ' ' ILE . . . -64.81 -42.57 94.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.625 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -58.35 -37.91 76.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.565 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.66 -36.76 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.58 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.8 mtp -67.44 -37.55 83.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.622 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.96 -36.42 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.25 -34.94 48.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.678 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.5 m -76.86 -6.06 50.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.696 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.63 29.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' H ' ' HG2' ' A' ' 59' ' ' LYS . 1.8 ptmt -69.16 97.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.638 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.78 5.37 38.86 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.14 164.46 11.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -97.37 144.07 27.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.833 HG23 ' O ' ' A' ' 37' ' ' ARG . 3.0 mt -131.16 161.73 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.573 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 33.9 tp10 -124.25 100.18 6.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 24.0 m -80.33 128.44 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.601 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -120.82 138.35 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.622 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.16 130.7 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.639 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.7 t -123.72 128.78 50.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.467 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.788 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 142.63 161.26 8.71 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.429 ' O ' ' OE2' ' A' ' 73' ' ' GLU . 53.8 Cg_exo -46.99 -44.67 22.54 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.83 2.353 . . . . 0.0 112.094 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.471 ' CD ' ' H ' ' A' ' 31' ' ' ASP . 29.3 mt-30 -94.53 7.27 46.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.569 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 19.7 pt-20 -38.31 -38.17 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.613 ' HG2' ' H ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -63.68 -48.96 75.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.564 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.613 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 19.8 mt-10 -57.63 -50.63 72.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.51 77.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.1 -44.15 89.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.613 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.43 99.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.483 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.68 98.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.81 -42.07 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.497 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.7 -41.43 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.22 -35.69 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 82' ' ' LEU . 5.4 mp -73.53 -38.64 65.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.412 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.691 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.59 -23.44 60.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.57 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -90.77 -1.47 57.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.571 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' B' ' 393' ' ' LEU . 7.4 ptm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 36.6 mm -98.48 124.71 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -81.21 109.49 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.464 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -112.19 157.04 21.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.559 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.86 118.89 65.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -72.73 111.0 3.14 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.826 2.35 . . . . 0.0 112.147 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -95.82 -53.03 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -120.65 108.94 36.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.5 166.06 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.774 2.316 . . . . 0.0 112.161 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 106.37 176.9 23.4 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 2.9 p -134.18 153.62 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.575 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -149.76 147.27 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 6.4 mt -129.94 124.09 57.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . 178.16 176.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . 0.528 ' HB2' ' CE2' ' B' ' 323' ' ' PHE . 98.9 mt-10 -79.07 168.18 20.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.451 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -99.93 116.01 5.46 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . 0.447 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 4.6 t-105 -103.98 140.78 37.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.716 0.293 . . . . 0.0 110.535 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . 0.436 ' H ' ' CD ' ' B' ' 187' ' ' GLN . 2.9 pm0 -103.79 136.98 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -61.46 155.88 20.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.602 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -79.13 49.47 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.592 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.93 112.71 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.431 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' B' ' 193' ' ' LEU . 10.8 mp -95.78 149.08 35.56 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' B' ' 194' ' ' MET . 52.8 Cg_exo -47.65 82.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.824 2.349 . . . . 0.0 112.136 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . 0.851 ' H ' ' CD1' ' B' ' 193' ' ' LEU . 0.0 OUTLIER -59.11 -4.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.592 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 194' ' ' MET . . . . . 0.507 ' N ' ' CD2' ' B' ' 193' ' ' LEU . 9.5 ttm -89.76 -55.11 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.547 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . 0.588 ' C ' ' H ' ' B' ' 197' ' ' VAL . 51.5 mp0 -74.24 -13.27 60.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -71.17 30.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . 0.588 ' H ' ' C ' ' B' ' 195' ' ' GLU . 6.8 p -128.9 117.62 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.516 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -131.6 154.96 48.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -80.71 150.22 29.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.589 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . 177.43 119.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.622 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 5.1 p -113.69 111.28 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.53 94.64 0.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.647 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.71 128.62 24.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.591 ' OD1' ' OE2' ' B' ' 208' ' ' GLU . 23.6 p-10 -156.63 55.11 0.98 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.624 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' B' ' 209' ' ' ARG . 53.9 Cg_exo -47.23 -64.82 0.21 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.871 2.381 . . . . 0.0 112.068 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -40.47 -47.73 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.54 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . 0.717 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 3.2 tp -76.33 -39.7 53.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.489 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.591 ' OE2' ' OD1' ' B' ' 204' ' ' ASP . 1.4 tp10 -69.35 -63.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.487 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' B' ' 205' ' ' PRO . 0.1 OUTLIER -44.12 -52.07 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.93 -37.69 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.427 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.717 ' HB2' ' O ' ' B' ' 207' ' ' LEU . 1.9 ttt-85 -57.53 -48.37 79.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.488 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 71.4 mt -62.61 -52.95 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.466 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 40.5 p -54.74 -47.96 73.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.385 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.97 95.53 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . 0.55 ' CB ' HD21 ' B' ' 309' ' ' LEU . . . -70.86 -43.36 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.415 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' B' ' 220' ' ' ALA . 31.0 mt -59.66 -49.1 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.417 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.544 ' HG2' ' ND2' ' B' ' 221' ' ' ASN . 0.2 OUTLIER -49.42 -34.04 15.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.418 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -78.34 -33.98 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.366 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -87.5 -49.48 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.371 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.621 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.58 -51.99 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.486 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.544 ' ND2' ' HG2' ' B' ' 217' ' ' GLU . 96.6 m-20 -62.91 -34.16 76.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.4 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . 0.476 ' OE1' ' NH1' ' B' ' 304' ' ' ARG . 25.6 tt0 -68.54 -34.25 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.483 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.38 -45.22 88.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.411 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.92 -38.56 91.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 15.4 ttm105 -67.12 -31.05 71.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.509 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . 0.779 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 2.5 m-85 -64.68 -60.86 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.79 -47.53 30.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.526 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -58.08 -37.49 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.519 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . 0.458 HH12 ' HA ' ' B' ' 339' ' ' PRO . 3.1 mtp180 -68.09 -42.4 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.521 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -67.62 -45.33 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -54.73 -26.77 36.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.53 -22.38 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . 0.602 ' O ' ' C ' ' B' ' 234' ' ' ALA . . . -164.06 -113.93 0.3 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.602 ' C ' ' O ' ' B' ' 233' ' ' GLY . . . 21.63 -139.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.482 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.421 ' HG3' ' HG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -111.62 154.79 24.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . 0.514 ' HZ1' HH11 ' A' ' 18' ' ' ARG . 57.0 tttm -71.15 -19.83 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.502 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.05 -44.86 95.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.634 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.421 ' HG1' ' HG3' ' B' ' 235' ' ' GLN . 4.1 m -58.42 -53.81 54.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.505 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -51.3 -44.28 61.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.411 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . . . -62.34 -30.49 71.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.598 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' B' ' 238' ' ' THR . 9.9 mm -70.99 -65.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.501 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.72 -58.21 8.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -45.45 -39.5 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . 0.81 HD21 ' O ' ' B' ' 244' ' ' LEU . 0.4 OUTLIER -71.83 -37.24 70.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.518 ' N ' HD11 ' B' ' 244' ' ' LEU . 0.3 OUTLIER -72.72 -34.52 67.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 52.8 p -48.36 -53.63 16.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.68 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.532 ' C ' ' ND1' ' B' ' 247' ' ' HIS . 0.1 OUTLIER -75.39 -34.47 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.52 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 0.5 OUTLIER -63.29 -43.2 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . 0.501 HD21 ' N ' ' B' ' 250' ' ' SER . 0.3 OUTLIER -72.35 -43.19 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 250' ' ' SER . . . . . 0.501 ' N ' HD21 ' B' ' 249' ' ' LEU . 87.9 p -68.79 -11.6 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.827 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 49.4 p30 -45.86 127.35 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 252' ' ' THR . . . . . 0.477 ' O ' ' CG ' ' B' ' 256' ' ' ARG . 4.3 t -58.62 1.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.662 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.572 ' H ' ' C ' ' B' ' 251' ' ' ASP . 30.6 ttp-105 -85.21 -49.15 8.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 6.4 tp -71.79 -46.48 58.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.424 HH21 ' HD3' ' B' ' 255' ' ' ARG . 30.8 ttp-105 -59.27 -55.51 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' B' ' 252' ' ' THR . 22.4 mmt85 -56.52 -40.79 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -54.5 -46.0 73.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.594 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 7.2 mp -57.75 -58.65 7.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.654 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' B' ' 259' ' ' PHE . 0.0 OUTLIER -55.94 -30.96 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.695 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -59.29 -42.42 91.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.73 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' B' ' 264' ' ' LYS . 4.6 tp10 -64.46 -38.13 89.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.613 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.73 -37.14 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.598 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -13.77 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' B' ' 261' ' ' GLU . 0.0 OUTLIER -92.31 -18.03 23.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.623 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . 0.479 ' N ' ' HG3' ' B' ' 264' ' ' LYS . . . 121.6 18.51 3.64 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 54.0 m -102.73 166.49 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 110.485 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.436 ' O ' ' HB1' ' B' ' 271' ' ' ALA . 31.7 m -104.38 154.96 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . . . . . . . . . . . -57.04 -45.87 82.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.56 -64.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . 0.436 ' CD2' ' OG1' ' B' ' 274' ' ' THR . 5.7 t90 -68.14 -44.11 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' B' ' 267' ' ' VAL . . . -50.77 -47.94 59.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.732 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.26 -41.76 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' B' ' 193' ' ' LEU . 6.1 tttt -77.07 -46.08 24.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.69 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 274' ' ' THR . . . . . 0.453 ' O ' ' N ' ' B' ' 278' ' ' LYS . 93.0 m -58.2 -56.21 24.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.681 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . . . . . . . . . 85.5 t -50.75 -55.82 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.411 ' N ' HD12 ' B' ' 276' ' ' ILE . 1.2 mp -55.26 -38.7 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.656 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' B' ' 281' ' ' GLU . 1.0 OUTLIER -75.99 -33.91 59.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.574 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' B' ' 274' ' ' THR . 12.5 ttpt -72.86 -32.17 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.625 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . 0.525 ' O ' ' HD2' ' B' ' 283' ' ' PHE . 0.5 OUTLIER -87.2 -15.82 37.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . 0.709 ' O ' ' HB1' ' B' ' 284' ' ' ALA . . . -76.37 -39.12 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.508 ' HA ' ' HB3' ' B' ' 284' ' ' ALA . 3.5 mm-40 -85.46 -30.11 23.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -59.7 -49.81 76.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.56 ' C ' ' CD1' ' B' ' 283' ' ' PHE . 0.3 OUTLIER -87.28 -28.65 22.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . 0.709 ' HB1' ' O ' ' B' ' 280' ' ' ALA . . . -61.79 -14.53 33.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -72.16 -11.32 60.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.491 ' C ' HD21 ' B' ' 291' ' ' LEU . 3.6 mm? -73.68 173.94 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 61.0 m -112.68 -26.5 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.569 ' O ' ' CD2' ' B' ' 291' ' ' LEU . 0.1 OUTLIER -42.18 128.67 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.594 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' B' ' 290' ' ' TYR . 17.3 p-10 -57.61 -49.79 75.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.516 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . 0.634 ' O ' ' HG3' ' B' ' 293' ' ' GLU . 43.5 t80 -47.48 -25.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.824 ' HG ' ' N ' ' B' ' 292' ' ' LYS . 0.5 OUTLIER -75.68 -45.46 36.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.824 ' N ' ' HG ' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -49.82 -45.69 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.533 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . 0.634 ' HG3' ' O ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -72.22 -27.96 62.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.391 179.81 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.597 ' NH1' ' OH ' ' B' ' 290' ' ' TYR . 8.7 tpp180 -61.72 -42.61 99.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.484 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -52.78 -49.4 65.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.454 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -50.77 -44.39 48.46 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' B' ' 245' ' ' TYR . 7.8 m-20 -67.26 -42.59 83.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.33 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -51.25 70.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.298 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -53.5 -43.65 68.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.332 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . 0.499 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -64.04 -39.7 94.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.255 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 5.3 tt -58.71 -42.83 89.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.374 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -64.37 -42.65 97.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -58.79 -40.67 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.311 . . . . 0.0 110.296 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.523 HH12 ' HH ' ' B' ' 226' ' ' TYR . 10.5 mtp180 -75.27 -40.67 58.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.408 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.54 -41.71 98.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.415 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . 0.402 ' O ' HD21 ' B' ' 306' ' ' LEU . 6.9 tt -69.71 -34.77 74.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.322 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . 0.581 ' CE1' ' OD1' ' B' ' 313' ' ' ASN . 46.6 t80 -66.98 -40.49 87.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.466 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -72.58 -24.51 61.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . 0.55 HD21 ' CB ' ' B' ' 215' ' ' ALA . 0.5 OUTLIER -69.76 -7.85 43.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -139.4 73.64 1.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.12 -13.88 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' B' ' 313' ' ' ASN . . . -58.17 -32.0 67.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.526 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . 0.581 ' OD1' ' CE1' ' B' ' 307' ' ' PHE . 0.1 OUTLIER -56.59 -121.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.55 89.96 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . 0.477 ' N ' ' HD2' ' B' ' 316' ' ' PRO . . . -56.75 -57.93 17.07 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' B' ' 315' ' ' GLY . 50.3 Cg_endo -72.66 140.38 32.47 Favored 'Trans proline' 0 C--N 1.303 -1.858 0 C-N-CA 122.872 2.381 . . . . 0.0 112.076 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' B' ' 319' ' ' TRP . 23.0 m120 -114.11 29.03 8.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' B' ' 317' ' ' ASN . . . -36.33 97.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.618 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' B' ' 317' ' ' ASN . 86.8 m95 -80.49 147.35 63.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.68 173.08 13.94 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.878 2.385 . . . . 0.0 112.175 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 8.4 pm0 -80.14 -26.34 39.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.4 OUTLIER -155.17 149.7 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.582 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 0.2 OUTLIER 172.52 166.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.559 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . 0.436 HD11 HG22 ' B' ' 324' ' ' ILE . 70.3 mt -116.18 137.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 56.0 tp -78.71 121.26 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.6 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.41 113.67 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.616 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -151.17 156.94 41.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -68.42 -21.77 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -155.4 157.8 37.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.53 127.33 39.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 331' ' ' SER . . . . . 0.568 ' OG ' ' OG1' ' B' ' 334' ' ' THR . 0.3 OUTLIER -126.8 131.25 51.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.55 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.62 82.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 333' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' B' ' 300' ' ' ALA . 14.2 p -64.95 -36.04 83.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 334' ' ' THR . . . . . 0.568 ' OG1' ' OG ' ' B' ' 331' ' ' SER . 98.2 m -67.25 -53.67 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.447 ' C ' ' H ' ' B' ' 337' ' ' GLU . 2.6 tt -55.45 -29.26 58.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . 0.779 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -75.06 12.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' B' ' 335' ' ' LEU . 94.6 mt-10 -100.72 -31.14 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.61 145.88 34.78 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . 0.458 ' HA ' HH12 ' B' ' 229' ' ' ARG . 50.7 Cg_endo -72.73 157.1 52.58 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.748 2.299 . . . . 0.0 112.196 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -71.97 -20.64 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.71 -45.93 91.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -82.59 -23.5 34.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.613 HD23 ' H ' ' B' ' 345' ' ' GLY . 2.1 tt -75.32 103.01 5.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 1.4 t -121.61 20.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . 0.613 ' H ' HD23 ' B' ' 343' ' ' LEU . . . 162.48 161.59 12.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.418 HG23 ' O ' ' B' ' 345' ' ' GLY . 25.4 t -145.55 150.77 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.576 0.227 . . . . 0.0 110.642 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 92.4 t -144.13 118.17 3.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.533 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 0.2 OUTLIER -117.48 151.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.605 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . 0.426 ' N ' HG21 ' B' ' 348' ' ' VAL . 35.5 ttm180 -80.5 -39.12 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' B' ' 351' ' ' GLY . 16.6 t70 -147.9 -91.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . 0.503 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 54.3 154.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -77.35 132.8 38.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.62 -13.58 59.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -98.95 3.83 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 79.3 p -70.35 155.11 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 18.9 pt20 -56.83 -42.21 79.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.489 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' B' ' 356' ' ' GLN . . . -62.08 -45.3 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.448 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.2 93.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.617 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . 0.471 HG23 HD13 ' B' ' 359' ' ' ILE . 47.6 mm -74.17 -30.59 27.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 39.2 ttm -60.94 -48.25 82.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.495 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.36 -47.62 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -58.14 -46.32 85.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.24 -22.92 64.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 20.9 tp -75.24 -30.53 60.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.46 38.69 6.17 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . 0.443 HD11 HG22 ' B' ' 366' ' ' ILE . 42.2 mm -116.72 124.35 29.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.389 . . . . 0.0 110.521 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.44 132.96 20.28 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.902 2.402 . . . . 0.0 112.055 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 58.7 m -157.68 142.57 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.2 150.63 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 370' ' ' MET . . . . . . . . . . . . . 1.6 mtt -126.89 165.4 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.531 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.46 -6.79 61.32 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -55.5 111.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -93.75 35.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . 0.434 HD13 HG21 ' B' ' 374' ' ' ILE . 38.0 mm -113.74 128.12 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.538 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 9.4 pm0 -66.33 150.84 96.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.68 -20.0 23.58 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.773 2.315 . . . . 0.0 112.064 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 78.0 p -62.07 -41.29 98.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 74.7 t -74.54 -34.68 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.533 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.733 ' O ' ' N ' ' B' ' 381' ' ' ARG . 66.6 mt -68.16 -31.65 71.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.592 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER 23.45 -81.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.733 ' N ' ' O ' ' B' ' 379' ' ' LEU . 17.2 ptp180 -147.03 22.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . 0.479 ' NH2' ' OD2' ' B' ' 396' ' ' ASP . 1.7 ttt180 -68.32 174.5 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 88.2 m -79.36 123.48 27.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.92 115.61 24.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 80.1 mt -107.3 100.54 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.656 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.8 145.19 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.441 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.725 ' O ' ' N ' ' B' ' 391' ' ' GLY . 54.5 t0 -129.74 83.94 2.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.618 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -45.23 -45.27 10.43 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -54.5 42.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -90.57 -1.53 57.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.725 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 43.78 55.31 5.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -129.49 157.21 42.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.515 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' B' ' 170' ' ' ARG . 2.4 mt -127.48 128.77 46.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.458 ' CD2' ' H ' ' B' ' 170' ' ' ARG . 10.2 mt -123.88 144.75 49.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.56 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.628 ' O ' ' C ' ' B' ' 396' ' ' ASP . 7.0 p -116.32 124.02 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.628 ' C ' ' O ' ' B' ' 395' ' ' VAL . 12.6 p30 15.93 62.4 0.16 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.534 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' B' ' 395' ' ' VAL . 50.6 Cg_endo -72.85 170.7 19.01 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.948 2.432 . . . . 0.0 112.102 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -48.28 150.32 2.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.509 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.72 -29.7 15.45 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.775 2.317 . . . . 0.0 112.091 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' B' ' 401' ' ' LEU . 8.5 p -73.61 -44.23 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.506 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . 0.465 ' N ' ' CG1' ' B' ' 400' ' ' VAL . 1.7 mm? -49.91 -51.42 40.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.54 -30.16 68.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.643 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -57.0 -61.56 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.439 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.53 -35.45 80.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -45.13 -42.04 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -73.19 -31.25 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.688 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -74.26 -38.91 63.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.606 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.59 -38.93 88.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.542 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . 0.43 HG23 ' N ' ' B' ' 410' ' ' SER . 1.8 tp -67.16 -31.79 54.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 410' ' ' SER . . . . . 0.43 ' N ' HG23 ' B' ' 409' ' ' ILE . 6.2 p -88.87 -19.82 25.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -43.65 -69.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . 0.546 ' O ' ' OG ' ' B' ' 416' ' ' SER . 5.5 pt-20 -178.42 30.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 0.582 ' O ' ' OG ' ' B' ' 416' ' ' SER . 1.7 mp -106.4 -80.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . 0.564 ' C ' ' O ' ' B' ' 413' ' ' ILE . 75.3 tt0 25.7 -113.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.46 -38.44 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 416' ' ' SER . . . . . 0.582 ' OG ' ' O ' ' B' ' 413' ' ' ILE . 86.7 p -42.46 -52.27 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -119.74 18.61 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . 0.409 ' CA ' ' O ' ' B' ' 414' ' ' GLU . 16.6 mt 53.6 -98.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -155.78 -163.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' B' ' 422' ' ' ASP . 14.3 tt0 74.09 -145.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 61.72 -67.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.598 ' O ' ' O ' ' B' ' 423' ' ' VAL . 86.0 m-20 56.84 -169.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.542 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . 0.598 ' O ' ' O ' ' B' ' 422' ' ' ASP . 73.2 t 45.08 108.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.593 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.651 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ptp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -82.15 160.3 23.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -134.28 116.63 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.564 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -122.56 172.46 8.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.698 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -161.52 132.8 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.36 128.8 33.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.637 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.5 p -130.13 125.58 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.409 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -81.73 125.57 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.555 HG12 ' CD1' ' A' ' 63' ' ' ILE . 23.3 mm -89.16 104.26 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.2 p -82.3 54.43 2.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.3 OUTLIER 65.35 22.29 12.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' A' ' 14' ' ' GLY . 10.9 tttt -161.27 97.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.462 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -62.14 -2.84 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 179.829 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.708 ' C ' ' SD ' ' A' ' 15' ' ' MET . . . 161.96 -35.98 0.37 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.977 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 173.61 -128.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.789 0.328 . . . . 0.0 110.557 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.697 ' N ' ' HG2' ' A' ' 15' ' ' MET . 83.1 t60 -88.95 -48.33 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 172.58 101.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.536 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 1.016 ' H ' ' HD2' ' A' ' 19' ' ' PRO . 1.2 ttt85 -167.53 -32.29 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 1.016 ' HD2' ' H ' ' A' ' 18' ' ' ARG . 35.1 Cg_endo -67.78 -41.38 8.16 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.789 2.326 . . . . 0.0 112.066 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.85 -39.89 79.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.513 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.2 ttp -72.64 -39.56 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.514 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 13.7 tptt -63.42 -36.96 85.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.559 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -50.13 -44.85 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.654 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -56.95 -38.7 73.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -74.2 -34.11 63.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.526 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.66 -40.91 79.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ttm -56.61 -32.09 64.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.655 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -81.29 -35.31 31.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.19 -30.67 45.27 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.536 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 29.4 m-85 -106.85 149.46 27.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.588 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.758 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 2.0 m-20 -93.82 96.64 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.52 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 165.74 154.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.53 130.15 45.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.8 m -107.57 132.67 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 mp -134.49 137.75 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.4 151.25 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.434 ' O ' HG22 ' A' ' 63' ' ' ILE . 25.3 ttm-85 -148.51 134.01 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.652 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.74 ' HA ' HG21 ' A' ' 63' ' ' ILE . 30.7 m120 -89.86 156.85 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 64.0 t0 -53.46 -27.99 27.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -67.6 -10.37 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.94 11.65 59.98 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.6 m -84.58 116.98 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -77.78 103.5 7.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.78 65.56 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.49 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.549 ' HB3' HD21 ' A' ' 47' ' ' ASN . 89.4 mt-10 -40.85 121.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -9.28 10.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.578 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -100.4 27.36 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.532 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.76 122.76 11.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.544 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.37 -36.18 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 pt -60.7 -38.3 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.62 -43.21 94.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.506 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -58.09 -38.12 75.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.703 ' N ' HD13 ' A' ' 53' ' ' LEU . 11.0 mp -65.14 -36.62 84.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.592 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.5 mtt -67.5 -38.89 85.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.53 -36.12 77.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -52.3 -34.86 48.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.573 ' HB3' ' OD2' ' B' ' 288' ' ' ASP . 0.1 OUTLIER -76.82 -7.03 54.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.73 29.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 15.0 pttt -69.27 96.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.74 5.16 39.21 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.67 ' NH2' ' H ' ' A' ' 62' ' ' GLN . 0.4 OUTLIER -105.66 165.4 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.562 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.67 ' H ' ' NH2' ' A' ' 61' ' ' ARG . 1.7 tm0? -98.2 142.96 29.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.52 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.74 HG21 ' HA ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -129.32 163.06 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.586 ' OE1' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -125.74 99.5 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.513 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.89 129.47 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -122.13 140.39 52.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.48 131.5 27.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 1.7 t -121.91 141.81 50.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.52 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 132.92 -176.42 19.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.758 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -73.58 -36.22 4.03 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.802 2.335 . . . . 0.0 112.147 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.536 ' OE1' ' HA ' ' A' ' 30' ' ' PHE . 91.8 mt-30 -99.29 4.55 46.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.573 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 71' ' ' GLN . 16.9 pt-20 -36.85 -42.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -58.32 -48.91 79.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' GLN . 25.9 mm-40 -59.11 -49.67 76.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.661 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' O ' HG13 ' A' ' 79' ' ' VAL . . . -58.39 -48.4 80.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.974 ' O ' HG23 ' A' ' 79' ' ' VAL . 2.7 tt -65.05 -43.71 91.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.14 99.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.544 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.01 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 76' ' ' LEU . 2.9 m -66.28 -42.09 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.487 ' N ' ' CG2' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -65.36 -40.96 90.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.55 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.36 87.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.431 ' N ' HD11 ' A' ' 82' ' ' LEU . 4.9 mp -71.81 -38.39 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.5 m-85 -69.45 -31.51 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.612 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -83.03 -3.75 57.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 85.6 mt -132.35 139.18 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 172' ' ' ARG . . . . . 0.577 ' H ' ' HD3' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -87.72 117.51 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' B' ' 370' ' ' MET . . . -115.19 156.8 24.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' B' ' 370' ' ' MET . 1.0 OUTLIER -71.91 114.9 32.85 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -72.54 116.06 4.57 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.802 2.335 . . . . 0.0 112.13 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -93.39 -27.69 16.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.484 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -153.08 109.93 2.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.42 152.14 2.6 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.902 2.401 . . . . 0.0 112.124 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 132.28 162.65 10.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.14 149.01 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -151.47 146.65 26.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 5.4 mt -123.63 122.12 64.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 183' ' ' ALA . . . . . 0.65 ' O ' HD12 ' B' ' 384' ' ' LEU . . . -169.3 -171.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.571 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' B' ' 382' ' ' ARG . 15.5 mt-10 -100.59 159.12 15.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . 0.535 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -87.44 126.62 8.08 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -142.58 148.31 37.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 110.557 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -108.58 139.19 43.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.543 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -51.58 169.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -79.75 17.98 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.466 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 79.6 m -84.97 114.87 22.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 191' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' B' ' 193' ' ' LEU . 17.2 mt -138.28 142.8 36.46 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.487 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.404 ' O ' ' OE2' ' B' ' 195' ' ' GLU . 54.3 Cg_exo -47.12 145.67 7.32 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.88 2.387 . . . . 0.0 112.163 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 193' ' ' LEU . . . . . 0.587 ' CD2' ' O ' ' B' ' 191' ' ' LEU . 4.4 mm? -111.72 12.04 21.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.64 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 194' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' B' ' 194' ' ' MET . 0.3 OUTLIER -73.51 -44.39 57.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.566 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . 0.553 ' CD ' ' N ' ' B' ' 196' ' ' GLN . 0.1 OUTLIER -81.23 -23.56 37.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.592 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 196' ' ' GLN . . . . . 0.553 ' N ' ' CD ' ' B' ' 195' ' ' GLU . 7.4 tt0 -66.39 -30.92 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.598 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 197' ' ' VAL . . . . . 0.405 ' CG1' ' HE1' ' B' ' 270' ' ' TRP . 7.2 t -68.65 135.64 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -120.75 -175.67 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -90.44 128.64 36.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 200' ' ' ALA . . . . . 0.602 ' O ' ' CH2' ' B' ' 270' ' ' TRP . . . 179.29 124.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 1.2 m -121.47 93.13 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 22.1 m -143.35 103.04 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.535 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . 0.423 ' H ' HD21 ' B' ' 203' ' ' LEU . 2.0 pt? -85.06 139.19 31.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.515 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.63 ' OD1' ' HG2' ' B' ' 208' ' ' GLU . 0.1 OUTLIER -158.4 84.52 2.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.08 -29.59 12.61 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.838 2.358 . . . . 0.0 112.141 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -70.23 -43.57 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.564 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 207' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 5.3 mt -94.83 -33.12 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.462 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 208' ' ' GLU . . . . . 0.73 ' OE1' ' N ' ' B' ' 268' ' ' ALA . 8.8 mm-40 -65.23 -58.84 4.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.516 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.24 -46.55 79.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -68.6 -38.49 80.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 211' ' ' ARG . . . . . 0.567 ' NH2' ' HB3' ' B' ' 268' ' ' ALA . 0.1 OUTLIER -52.16 -50.18 62.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.73 -51.77 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.56 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 28.6 m -51.57 -54.92 22.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.557 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -57.67 -34.37 70.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 215' ' ' ALA . . . . . 0.435 ' CB ' HD23 ' B' ' 309' ' ' LEU . . . -69.75 -46.16 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.511 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.3 mp -55.1 -50.25 69.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 217' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 2.7 mm-40 -54.56 -27.96 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.528 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -81.28 -35.52 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -97.09 -52.6 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . 0.692 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -49.42 -52.73 26.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 221' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 97.5 m-20 -65.36 -33.29 75.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -66.61 -40.46 88.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 223' ' ' PHE . . . . . 0.504 ' CZ ' ' NH1' ' B' ' 304' ' ' ARG . 5.0 m-85 -64.89 -45.81 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 3.7 ttm105 -56.27 -55.79 28.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -61.06 -28.55 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -56.13 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.51 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 227' ' ' SER . . . . . 0.45 ' H ' ' HG ' ' B' ' 227' ' ' SER . 0.7 OUTLIER -49.03 -50.04 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 228' ' ' LYS . . . . . 0.531 ' H ' ' HD2' ' B' ' 228' ' ' LYS . 0.2 OUTLIER -51.88 -43.4 63.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.616 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -64.83 -42.95 94.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 230' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' B' ' 234' ' ' ALA . 2.9 m-85 -65.51 -48.23 73.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.516 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -50.19 -35.23 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.578 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.31 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.597 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -123.4 -67.75 0.22 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 234' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -51.32 179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.565 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 235' ' ' GLN . . . . . 0.607 ' HG3' ' HG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -79.73 171.82 14.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 236' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' B' ' 237' ' ' GLU . 64.5 pttt -65.19 -39.75 93.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' B' ' 236' ' ' LYS . 5.6 tt0 -49.52 -49.19 46.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 238' ' ' THR . . . . . 0.607 ' HG1' ' HG3' ' B' ' 235' ' ' GLN . 0.2 OUTLIER -60.09 -58.93 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -55.16 -42.4 73.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.476 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -66.99 -27.35 67.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 241' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' B' ' 238' ' ' THR . 6.9 mt -70.54 -61.12 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.541 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 242' ' ' PHE . . . . . 0.599 ' O ' ' N ' ' B' ' 245' ' ' TYR . 36.7 m-85 -54.71 -56.13 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 243' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' B' ' 242' ' ' PHE . 0.5 OUTLIER -36.65 -41.96 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.491 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 29.6 tp -70.75 -35.29 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 245' ' ' TYR . . . . . 0.599 ' N ' ' O ' ' B' ' 242' ' ' PHE . 9.1 m-30 -70.2 -43.32 70.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 35.2 m -45.36 -43.19 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.639 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 247' ' ' HIS . . . . . 0.58 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 0.7 OUTLIER -74.58 -26.28 59.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 248' ' ' LEU . . . . . 0.711 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 2.5 tt -62.32 -45.01 95.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.41 -42.89 58.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 250' ' ' SER . . . . . 0.473 ' HG ' ' HA ' ' B' ' 247' ' ' HIS . 54.3 p -73.5 -19.01 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.576 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 251' ' ' ASP . . . . . 0.884 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 50.4 p30 -52.12 128.42 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 4.9 t -60.0 -0.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 253' ' ' ARG . . . . . 0.523 ' H ' ' C ' ' B' ' 251' ' ' ASP . 3.8 tmt_? -76.43 -52.99 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 254' ' ' LEU . . . . . 0.443 HD13 HH21 ' B' ' 253' ' ' ARG . 0.0 OUTLIER -74.58 -36.98 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.613 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 255' ' ' ARG . . . . . 0.54 HH11 HH12 ' B' ' 256' ' ' ARG . 10.8 ttp-105 -61.03 -48.13 83.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 256' ' ' ARG . . . . . 0.54 HH12 HH11 ' B' ' 255' ' ' ARG . 9.3 mmp_? -64.06 -42.18 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.791 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.92 -49.82 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.721 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 14.9 mt -57.17 -53.02 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 259' ' ' PHE . . . . . 0.697 ' O ' HG22 ' B' ' 262' ' ' VAL . 6.9 m-30 -57.49 -31.34 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.63 80.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -70.48 -48.43 55.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 262' ' ' VAL . . . . . 0.697 HG22 ' O ' ' B' ' 259' ' ' PHE . 2.4 m -60.5 -39.24 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 263' ' ' ASP . . . . . 0.458 ' N ' ' CG2' ' B' ' 262' ' ' VAL . 93.0 m-20 -64.54 -12.62 46.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -93.59 -19.37 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 122.98 12.58 4.82 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 266' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' B' ' 262' ' ' VAL . 45.9 t -92.76 153.65 18.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.576 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 267' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' B' ' 268' ' ' ALA . 82.6 t -98.6 143.88 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.541 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 268' ' ' ALA . . . . . 0.73 ' N ' ' OE1' ' B' ' 208' ' ' GLU . . . -37.9 -45.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . 0.411 ' N ' ' OE1' ' B' ' 269' ' ' GLU . 0.1 OUTLIER -47.66 -60.54 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 270' ' ' TRP . . . . . 0.602 ' CH2' ' O ' ' B' ' 200' ' ' ALA . 15.8 m0 -73.64 -39.23 64.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 271' ' ' ALA . . . . . 0.443 ' O ' HG21 ' B' ' 275' ' ' VAL . . . -47.22 -56.12 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 272' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' B' ' 276' ' ' ILE . 82.1 t -63.42 -31.94 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 273' ' ' LYS . . . . . 0.663 ' O ' HG13 ' B' ' 276' ' ' ILE . 57.6 tttt -73.29 -40.49 64.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.7 m -66.62 -50.81 61.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 275' ' ' VAL . . . . . 0.443 HG21 ' O ' ' B' ' 271' ' ' ALA . 69.3 t -50.56 -54.51 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 276' ' ' ILE . . . . . 0.663 HG13 ' O ' ' B' ' 273' ' ' LYS . 1.3 pp -57.82 -30.94 39.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 277' ' ' GLU . . . . . 0.578 ' N ' HG13 ' B' ' 276' ' ' ILE . 92.1 mt-10 -76.25 -34.67 59.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.684 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 278' ' ' LYS . . . . . 0.603 ' O ' ' CD ' ' B' ' 281' ' ' GLU . 5.2 mtpm? -64.3 -31.26 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 279' ' ' PHE . . . . . 0.556 ' C ' ' CD1' ' B' ' 279' ' ' PHE . 0.0 OUTLIER -79.06 -32.01 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 280' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' B' ' 284' ' ' ALA . . . -43.12 -48.45 6.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.6 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.603 ' CD ' ' O ' ' B' ' 278' ' ' LYS . 24.4 pm0 -82.65 -24.9 33.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 282' ' ' GLN . . . . . 0.514 ' N ' ' HG2' ' B' ' 281' ' ' GLU . 13.2 tt0 -60.0 -51.04 71.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 283' ' ' PHE . . . . . 0.458 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 8.2 m-30 -78.09 -30.92 49.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.619 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 284' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -54.97 -58.16 8.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 285' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -33.6 -40.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.476 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 286' ' ' LEU . . . . . 0.596 ' CB ' ' CD2' ' B' ' 291' ' ' LEU . 16.6 mt -79.11 151.23 31.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 94.7 p -111.16 -7.14 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 288' ' ' ASP . . . . . 0.697 ' OD1' ' N ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -50.21 120.51 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 289' ' ' ASN . . . . . 0.808 HD21 ' N ' ' B' ' 290' ' ' TYR . 0.5 OUTLIER -58.62 -51.73 68.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.492 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 290' ' ' TYR . . . . . 0.808 ' N ' HD21 ' B' ' 289' ' ' ASN . 57.6 t80 -48.79 -35.94 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 291' ' ' LEU . . . . . 0.723 ' HG ' ' N ' ' B' ' 292' ' ' LYS . 0.3 OUTLIER -91.1 -41.89 10.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 292' ' ' LYS . . . . . 0.723 ' N ' ' HG ' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -41.46 -53.21 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.456 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . 0.428 ' OE2' ' CD ' ' B' ' 356' ' ' GLN . 0.1 OUTLIER -65.61 -38.08 88.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.397 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 294' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' B' ' 291' ' ' LEU . 12.8 tpp85 -45.12 -40.6 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.373 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -50.36 -47.62 56.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -53.06 -42.38 61.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -40.92 98.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.813 0.34 . . . . 0.0 110.285 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 298' ' ' LEU . . . . . 0.531 ' HB3' ' CE2' ' B' ' 279' ' ' PHE . 1.6 mm? -55.55 -46.3 77.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.295 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -56.61 -41.88 77.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.249 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.18 95.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.263 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 58.1 mt -61.26 -42.42 98.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.326 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.41 -42.56 98.99 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -39.95 86.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.354 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 304' ' ' ARG . . . . . 0.504 ' NH1' ' CZ ' ' B' ' 223' ' ' PHE . 15.3 mmm-85 -65.04 -41.04 95.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.402 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.78 -39.52 89.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . 0.563 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.6 OUTLIER -65.28 -37.37 86.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.293 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.45 -45.09 80.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.351 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -71.04 -23.86 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.44 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 309' ' ' LEU . . . . . 0.435 HD23 ' CB ' ' B' ' 215' ' ' ALA . 0.4 OUTLIER -63.05 -15.49 56.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.504 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 310' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 0.0 OUTLIER -123.89 108.44 12.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -55.94 -6.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.499 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 312' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' B' ' 310' ' ' ASP . . . -77.52 -23.14 50.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.556 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 313' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -146.49 150.37 35.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 176.53 91.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.505 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 116.59 -159.8 13.75 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -73.64 144.16 35.15 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.812 2.342 . . . . 0.0 112.12 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.74 144.54 49.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . 43.54 44.9 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 319' ' ' TRP . . . . . 0.686 ' CD2' ' O ' ' B' ' 319' ' ' TRP . 0.0 OUTLIER -84.61 120.03 73.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 320' ' ' PRO . . . . . 0.408 ' O ' ' CD1' ' B' ' 319' ' ' TRP . 49.1 Cg_endo -72.63 -178.46 3.42 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.861 2.374 . . . . 0.0 112.057 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.67 -35.65 74.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 322' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 0.0 OUTLIER -160.26 163.85 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 323' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' B' ' 322' ' ' ARG . 49.9 p90 178.35 169.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 2.3 pp -107.13 156.47 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 33.2 tp -94.71 114.81 26.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' B' ' 326' ' ' VAL . 7.8 p -114.13 93.92 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.699 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -128.7 163.1 25.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.528 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 328' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 43.2 p-10 -71.83 -27.46 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.542 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 9.7 pt-20 -144.37 135.3 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.28 126.38 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.477 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 331' ' ' SER . . . . . 0.516 ' HG ' ' HG1' ' B' ' 333' ' ' THR . 6.0 t -137.1 130.52 31.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.44 -38.57 63.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 333' ' ' THR . . . . . 0.516 ' HG1' ' HG ' ' B' ' 331' ' ' SER . 11.6 p -53.42 -43.13 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 98.7 m -59.18 -47.32 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.493 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.416 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.8 OUTLIER -58.79 -30.87 67.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -64.37 -3.52 3.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.51 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' B' ' 335' ' ' LEU . 86.6 mt-10 -93.64 -41.48 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.477 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.75 147.66 37.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.7 143.21 37.18 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.815 2.343 . . . . 0.0 112.181 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.29 -20.98 63.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -62.49 -43.21 99.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.404 ' HE ' ' HE1' ' B' ' 319' ' ' TRP . 9.3 mpt_? -76.95 -22.14 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.502 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 15.5 tp -69.6 114.75 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.531 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.95 7.25 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 174.37 164.27 29.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.56 139.66 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.936 0.398 . . . . 0.0 110.649 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.78 127.14 44.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.521 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 348' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 1.4 t -126.97 146.59 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.616 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . 0.42 ' NH1' ' OE1' ' B' ' 375' ' ' GLN . 49.9 mtp180 -90.79 -37.17 13.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.473 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -135.81 -132.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . 71.28 167.25 7.83 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -108.54 145.29 35.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 110.583 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.58 -15.07 63.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -82.32 1.29 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 355' ' ' SER . . . . . 0.437 ' HG ' ' CB ' ' B' ' 358' ' ' ALA . 83.5 p -63.9 153.68 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.588 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . 0.428 ' CD ' ' OE2' ' B' ' 293' ' ' GLU . 15.1 pt20 -63.81 -43.32 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.61 94.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 358' ' ' ALA . . . . . 0.437 ' CB ' ' HG ' ' B' ' 355' ' ' SER . . . -58.56 -41.3 85.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.9 mt -73.32 -28.94 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 360' ' ' MET . . . . . 0.425 ' O ' HD12 ' B' ' 364' ' ' LEU . 15.5 tmm? -66.8 -48.79 67.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.512 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . 0.432 HG21 ' N ' ' B' ' 362' ' ' ARG . 23.7 m -66.7 -45.84 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 362' ' ' ARG . . . . . 0.432 ' N ' HG21 ' B' ' 361' ' ' VAL . 18.0 ttp180 -61.64 -42.77 99.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.27 -24.36 63.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 364' ' ' LEU . . . . . 0.425 HD12 ' O ' ' B' ' 360' ' ' MET . 2.2 mp -73.35 -25.45 60.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 96.18 36.31 5.23 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 366' ' ' ILE . . . . . 0.679 ' CG2' ' HD2' ' B' ' 367' ' ' PRO . 34.7 mm -116.73 142.99 30.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.58 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 367' ' ' PRO . . . . . 0.679 ' HD2' ' CG2' ' B' ' 366' ' ' ILE . 53.3 Cg_endo -73.34 126.99 11.46 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.816 2.344 . . . . 0.0 112.126 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 87.9 m -137.36 145.09 42.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.612 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.14 147.0 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 370' ' ' MET . . . . . 0.49 ' O ' ' CB ' ' B' ' 173' ' ' ALA . 6.0 mtt -126.94 163.32 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.91 -9.63 61.85 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -57.77 119.18 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 33.2 p30 -108.24 54.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . 0.437 HG23 HD13 ' B' ' 374' ' ' ILE . 29.9 mm -111.86 122.35 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.609 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 375' ' ' GLN . . . . . 0.42 ' OE1' ' NH1' ' B' ' 349' ' ' ARG . 6.7 mm100 -59.41 115.73 13.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.56 -39.29 29.35 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.781 2.321 . . . . 0.0 112.172 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 82.3 p -51.74 -49.33 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.66 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.09 -36.45 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 379' ' ' LEU . . . . . 0.71 ' O ' ' N ' ' B' ' 381' ' ' ARG . 48.6 mt -65.29 -31.49 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.54 ' C ' ' O ' ' B' ' 379' ' ' LEU . 18.8 t-160 26.41 -83.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 381' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.0 OUTLIER -146.23 26.09 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 382' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' B' ' 184' ' ' GLU . 6.7 mtt-85 -68.39 178.41 1.98 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 383' ' ' THR . . . . . 0.467 ' O ' ' OD1' ' B' ' 396' ' ' ASP . 92.4 m -97.74 134.44 40.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 384' ' ' LEU . . . . . 0.801 ' CD1' ' N ' ' B' ' 384' ' ' LEU . 0.0 OUTLIER -146.23 127.45 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.534 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 385' ' ' ILE . . . . . 0.421 ' N ' HD12 ' B' ' 385' ' ' ILE . 4.3 mp -103.1 128.46 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.68 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 8.8 m -104.55 146.06 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.471 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 387' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' B' ' 391' ' ' GLY . 67.1 t0 -134.1 83.56 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.514 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -57.37 -38.56 87.41 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.23 -54.2 34.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.593 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 390' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' B' ' 390' ' ' ARG . 0.0 OUTLIER -95.28 -5.97 42.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 56.13 64.12 4.68 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 392' ' ' GLU . . . . . 0.496 ' HG2' ' H ' ' B' ' 393' ' ' LEU . 0.9 OUTLIER -143.4 157.19 44.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.529 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . 0.496 ' H ' ' HG2' ' B' ' 392' ' ' GLU . 50.3 tp -125.44 126.36 44.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.501 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 394' ' ' LEU . . . . . 0.668 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 15.8 mt -99.67 141.59 32.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 395' ' ' VAL . . . . . 0.768 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 0.0 OUTLIER -117.47 99.07 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.536 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 396' ' ' ASP . . . . . 0.567 ' N ' ' CD ' ' B' ' 397' ' ' PRO . 0.1 OUTLIER 28.04 47.93 0.22 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 397' ' ' PRO . . . . . 0.768 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 39.3 Cg_endo -70.21 166.63 27.53 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.885 2.39 . . . . 0.0 112.155 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -43.05 142.49 1.48 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.79 -20.65 25.96 Favored 'Trans proline' 0 C--N 1.303 -1.837 0 C-N-CA 122.721 2.28 . . . . 0.0 112.189 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 9.2 p -84.09 -37.11 12.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.606 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.03 -45.55 70.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.52 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' B' ' 402' ' ' LEU . 3.3 tt -71.73 -24.31 61.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -68.0 -46.63 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.62 -47.43 60.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.587 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -45.07 -44.41 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -66.39 -35.07 79.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -76.06 -38.01 57.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' B' ' 411' ' ' GLU . 3.2 mp -78.38 -64.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 409' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 410' ' ' SER . 1.9 tp -43.43 -38.29 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.576 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 410' ' ' SER . . . . . 0.471 ' N ' ' CG2' ' B' ' 409' ' ' ILE . 84.6 p -70.97 -20.59 62.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.521 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 411' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' B' ' 408' ' ' LEU . 87.8 mt-10 -126.32 -92.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.574 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 412' ' ' GLU . . . . . 0.699 ' HG3' ' N ' ' B' ' 413' ' ' ILE . 23.7 pt-20 30.74 -133.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.505 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 413' ' ' ILE . . . . . 0.699 ' N ' ' HG3' ' B' ' 412' ' ' GLU . 0.0 OUTLIER -110.86 -85.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -160.44 -126.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.628 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 415' ' ' LEU . . . . . 0.703 ' O ' ' C ' ' B' ' 416' ' ' SER . 1.5 mt -59.92 -64.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.619 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 416' ' ' SER . . . . . 0.738 ' O ' ' N ' ' B' ' 418' ' ' LEU . 0.9 OUTLIER 1.0 -70.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.581 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 417' ' ' ARG . . . . . 0.681 ' N ' ' O ' ' B' ' 415' ' ' LEU . 0.4 OUTLIER -35.05 -20.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 418' ' ' LEU . . . . . 0.738 ' N ' ' O ' ' B' ' 416' ' ' SER . 0.1 OUTLIER -34.21 156.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 419' ' ' ALA . . . . . 0.6 ' N ' ' CD1' ' B' ' 418' ' ' LEU . . . 74.35 149.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.61 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 420' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' B' ' 423' ' ' VAL . 58.9 mm-40 -98.08 110.33 22.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.61 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 421' ' ' ASP . . . . . 0.626 ' C ' ' H ' ' B' ' 423' ' ' VAL . 75.6 m-20 -82.98 152.74 25.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.522 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' B' ' 422' ' ' ASP . 0.4 OUTLIER 62.25 -8.08 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.538 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 423' ' ' VAL . . . . . 0.626 ' H ' ' C ' ' B' ' 421' ' ' ASP . 43.2 t -136.11 150.83 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.644 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 424' ' ' ASN . . . . . 0.503 ' O ' ' NH2' ' B' ' 172' ' ' ARG . 2.8 m120 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.051 -0.975 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.611 HG22 ' OG1' ' A' ' 68' ' ' THR . 71.1 p -82.91 159.96 22.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 1.149 HG21 ' OE1' ' A' ' 72' ' ' GLU . 16.8 m -134.62 118.29 25.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -125.07 174.32 8.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.622 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -163.22 131.86 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 6' ' ' THR . 14.8 t -77.98 129.23 35.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.44 123.62 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.46 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.622 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -80.26 126.81 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.559 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.4 mt -90.16 105.84 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.662 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.497 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -82.98 55.13 2.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.51 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 63.81 25.44 14.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.52 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 3.2 ttpt -165.96 97.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.976 ' H ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -61.98 -1.56 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.515 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . 147.97 -124.18 1.85 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.32 98.67 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.434 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 54.56 -96.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.479 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . . . -144.08 -0.16 1.03 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.551 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.616 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 14.6 mmp_? -52.33 -45.96 94.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.545 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.616 ' HD3' ' HB2' ' A' ' 18' ' ' ARG . 52.3 Cg_exo -47.63 -49.43 13.44 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.853 2.369 . . . . 0.0 112.134 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.0 90.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.647 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -69.43 -43.33 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.18 -37.88 86.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.945 HD21 HG22 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -48.65 -43.69 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.525 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.35 -36.27 75.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.675 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -76.27 -34.63 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.896 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 96.6 mt -68.0 -40.96 82.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.825 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 2.8 tpp -58.24 -27.91 64.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -28.71 22.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.599 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.9 -25.04 35.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.896 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 2.0 p90 -119.44 135.7 54.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.574 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.751 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 29.9 t0 -77.75 110.82 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.601 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.772 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 155.13 148.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -98.23 129.07 44.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.61 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.783 ' O ' HD12 ' A' ' 35' ' ' LEU . 6.5 p -106.82 132.47 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 34' ' ' VAL . 5.8 mp -133.54 138.56 46.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.778 ' C ' ' HG2' ' A' ' 37' ' ' ARG . 4.2 mp -108.87 149.42 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.477 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.778 ' HG2' ' C ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -146.15 134.28 21.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.499 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.489 ' ND2' ' SD ' ' A' ' 54' ' ' MET . 67.1 m-80 -90.72 155.36 18.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -52.82 -26.99 16.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 34.5 tt0 -68.82 -9.93 53.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.549 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' OE2' ' A' ' 43' ' ' GLU . . . 91.44 12.14 60.06 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -85.3 116.48 23.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -77.69 103.04 7.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.63 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.643 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.27 65.39 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.553 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -40.64 120.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.6 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -62.7 -10.17 11.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -99.7 28.46 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.548 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -146.55 123.8 11.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.1 m -63.75 -35.61 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.446 HD11 ' CZ ' ' B' ' 279' ' ' PHE . 60.5 mt -61.47 -37.0 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.507 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.643 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.65 -42.45 91.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.6 tp -58.23 -38.78 77.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.615 ' O ' HD13 ' B' ' 286' ' ' LEU . 34.1 mt -65.18 -36.75 85.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.534 ' CE ' HH12 ' A' ' 61' ' ' ARG . 1.9 tmt? -67.89 -36.79 80.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.1 tp -62.69 -36.06 81.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -52.72 -35.19 55.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.9 p -76.19 -6.59 51.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.25 29.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 59' ' ' LYS . 16.9 ptmt -69.84 97.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.02 4.72 38.67 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.534 HH12 ' CE ' ' A' ' 54' ' ' MET . 24.1 mtm180 -105.47 165.44 11.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.745 0.307 . . . . 0.0 110.546 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.61 143.15 29.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.42 ' CD1' HG13 ' A' ' 65' ' ' VAL . 1.1 pt -130.02 163.64 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.589 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -126.09 100.6 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.444 HG22 ' H ' ' A' ' 65' ' ' VAL . 0.8 OUTLIER -80.52 129.44 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 1.5 pt-20 -121.76 139.47 53.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.533 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 3' ' ' VAL . . . -138.42 131.48 29.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.622 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.611 ' OG1' HG22 ' A' ' 2' ' ' THR . 56.1 m -121.91 140.76 52.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.615 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.826 ' O ' ' HG3' ' A' ' 72' ' ' GLU . . . 133.52 -177.11 19.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -72.62 -37.01 4.37 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.839 2.359 . . . . 0.0 112.13 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.1 mt-30 -97.9 3.89 49.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.594 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 1.149 ' OE1' HG21 ' A' ' 3' ' ' VAL . 1.2 pp20? -35.86 -42.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.569 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.855 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 4.1 tp10 -57.86 -50.01 74.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.4 tm-20 -57.87 -52.52 65.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.796 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.26 -49.82 71.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.574 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.622 HD21 ' HB2' ' A' ' 5' ' ' GLN . 62.2 tp -64.29 -44.64 91.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.606 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.42 99.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.645 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.945 HG22 HD21 ' A' ' 23' ' ' LEU . 24.4 t -66.45 -43.18 91.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -64.22 -41.32 92.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.504 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.22 -37.06 85.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.56 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.21 -37.16 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.72 -32.36 70.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.553 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 85' ' ' SER . 62.3 m-80 -82.41 -5.73 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 3.3 m . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.49 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 170' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' B' ' 393' ' ' LEU . 4.7 ttt85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 27.0 mm -108.86 132.61 56.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -87.63 109.93 20.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.573 ' HB2' HD11 ' B' ' 393' ' ' LEU . . . -118.74 149.6 41.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.6 ' N ' HD22 ' B' ' 174' ' ' LEU . 3.7 mm? -73.05 117.56 61.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 175' ' ' PRO . . . . . 0.454 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 49.3 Cg_endo -72.75 112.09 3.41 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.789 2.326 . . . . 0.0 112.108 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -90.81 -22.77 20.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -147.64 108.86 3.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.47 161.29 0.29 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.82 2.347 . . . . 0.0 112.128 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 179' ' ' GLY . . . . . 0.584 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 118.44 159.91 11.33 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.9 p -128.21 144.65 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.499 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -154.41 150.22 27.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.571 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 8.3 tt -126.1 131.43 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.587 ' HB1' ' HA ' ' B' ' 323' ' ' PHE . . . -177.55 168.21 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.531 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 184' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 184' ' ' GLU . 10.8 pm0 -74.47 162.79 28.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.548 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.659 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.75 122.87 7.7 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -131.81 135.61 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.544 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.772 0.32 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 0.774 HD12 ' H ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -98.17 91.26 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.668 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 30.5 p-10 -157.02 46.31 0.25 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 54.4 Cg_exo -46.81 -54.36 5.02 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.83 2.353 . . . . 0.0 112.117 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -81.89 -49.96 9.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -49.23 -43.49 42.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.548 ' HG3' ' HB2' ' B' ' 268' ' ' ALA . 5.4 tp10 -71.64 -50.24 32.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -52.19 -53.45 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.476 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.8 -39.7 92.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.494 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.432 HH12 ' CD ' ' B' ' 269' ' ' GLU . 14.2 ttt-85 -55.64 -39.93 71.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.454 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.423 HD23 ' HB1' ' B' ' 268' ' ' ALA . 0.1 OUTLIER -64.7 -50.4 67.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 89.4 m -56.13 -49.49 73.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.46 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.77 -36.0 84.66 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.37 -40.44 77.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.485 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.8 mm? -57.22 -51.01 71.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.37 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 4.0 mm-40 -52.47 -36.07 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.357 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -79.24 -32.04 43.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.402 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.0 -49.34 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.399 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.697 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.44 -49.81 73.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.373 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 98.0 m-20 -64.65 -33.41 75.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.383 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 3.3 tm-20 -70.32 -34.93 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.464 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.66 -43.94 52.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -61.82 -40.63 95.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.397 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -33.69 70.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.735 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.2 OUTLIER -60.46 -57.19 13.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 68.1 p -59.5 -41.54 90.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.531 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -38.37 45.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -69.92 -41.26 74.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.96 -49.23 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.41 65.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.84 -18.16 65.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 233' ' ' GLY . . . . . 0.904 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -142.42 -91.83 0.17 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.904 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -10.1 -122.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.636 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 235' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.71 176.19 8.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -83.71 -27.17 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.647 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.67 -44.08 97.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.589 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 238' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.81 -54.72 30.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 239' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' B' ' 243' ' ' ASP . . . -54.52 -43.52 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.14 82.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.39 -62.46 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.531 ' O ' ' N ' ' B' ' 245' ' ' TYR . 33.3 m-85 -57.4 -61.04 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' B' ' 242' ' ' PHE . 66.7 t0 -35.42 -42.67 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.596 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.74 -43.29 89.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.536 ' O ' ' HB3' ' B' ' 248' ' ' LEU . 0.4 OUTLIER -71.65 -39.08 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.634 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 41.0 t -50.23 -43.82 53.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -70.17 -29.26 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.592 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.543 ' CD1' HH22 ' B' ' 253' ' ' ARG . 3.9 tp -59.79 -66.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.725 ' HB3' HD21 ' B' ' 301' ' ' LEU . 3.0 pp -52.9 -38.51 61.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.585 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 250' ' ' SER . . . . . 0.723 ' N ' HD12 ' B' ' 249' ' ' LEU . 51.9 p -75.6 -19.2 59.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' B' ' 253' ' ' ARG . 62.2 t0 -57.49 123.03 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.58 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 1.8 t -52.5 -6.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.565 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.87 ' O ' ' HG3' ' B' ' 256' ' ' ARG . 2.5 ttp-105 -75.15 -49.88 18.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.89 -45.25 78.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -58.72 -49.68 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 256' ' ' ARG . . . . . 0.87 ' HG3' ' O ' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -58.38 -40.22 81.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.556 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' B' ' 256' ' ' ARG . 2.4 mt-10 -59.17 -49.51 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.985 HD21 HG23 ' B' ' 272' ' ' VAL . 6.8 mp -59.75 -47.37 85.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -31.3 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.671 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.3 97.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 261' ' ' GLU . . . . . 0.464 ' HA ' ' NZ ' ' B' ' 264' ' ' LYS . 80.6 mm-40 -63.15 -37.39 87.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 45.1 t -68.09 -33.36 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.92 -19.06 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 264' ' ' LYS . . . . . 0.464 ' NZ ' ' HA ' ' B' ' 261' ' ' GLU . 15.4 mttp -96.58 -24.55 15.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.558 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.65 21.42 2.19 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 45.9 t -85.69 154.4 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.603 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.48 133.49 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.548 ' HB2' ' HG3' ' B' ' 208' ' ' GLU . . . -46.14 -54.15 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' B' ' 269' ' ' GLU . 2.0 mp0 -39.97 -55.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.454 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 270' ' ' TRP . . . . . 0.544 ' O ' HG23 ' B' ' 274' ' ' THR . 5.7 m0 -82.33 -41.17 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.509 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -53.52 -51.89 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.513 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.985 HG23 HD21 ' B' ' 258' ' ' LEU . 7.2 p -57.54 -39.77 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.46 ' N ' HG13 ' B' ' 272' ' ' VAL . 4.8 ttmt -67.75 -42.68 81.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 274' ' ' THR . . . . . 0.544 HG23 ' O ' ' B' ' 270' ' ' TRP . 72.2 p -64.85 -47.96 76.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.515 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.613 HG11 ' CD1' ' B' ' 258' ' ' LEU . 56.0 t -55.63 -47.84 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.442 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.531 HD13 ' O ' ' B' ' 272' ' ' VAL . 1.2 mp -63.73 -38.42 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.577 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 80.0 tt0 -65.58 -42.78 91.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.391 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -62.35 -36.59 82.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.396 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 279' ' ' PHE . . . . . 0.504 ' CE2' ' NH1' ' B' ' 253' ' ' ARG . 1.5 m-85 -71.42 -35.22 70.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.446 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -51.19 -41.8 60.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.456 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.577 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 4.6 mp0 -69.29 -36.98 77.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -66.11 -40.72 90.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 53' ' ' LEU . 5.1 m-85 -65.86 -39.2 90.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 284' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -66.83 -44.85 80.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 285' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -38.38 -32.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.663 ' O ' ' HD2' ' B' ' 292' ' ' LYS . 39.0 tp -65.2 142.24 58.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.607 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 43.2 t -92.16 -39.0 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.712 ' O ' ' HB3' ' B' ' 292' ' ' LYS . 9.3 t70 -60.26 105.26 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -69.61 -23.2 63.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.95 -22.47 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' B' ' 294' ' ' ARG . 0.1 OUTLIER -138.33 -39.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.55 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.712 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -39.52 -46.44 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.545 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 293' ' ' GLU . . . . . 0.482 ' N ' ' HG2' ' B' ' 292' ' ' LYS . 8.8 tm-20 -46.72 -24.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.524 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 291' ' ' LEU . 68.8 mmt-85 -40.12 -29.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 295' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -46.79 -50.23 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.47 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -52.05 -42.35 54.42 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.518 ' OD2' ' NE2' ' B' ' 356' ' ' GLN . 63.0 m-20 -64.0 -40.33 96.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.46 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 298' ' ' LEU . . . . . 0.447 ' O ' HD12 ' B' ' 298' ' ' LEU . 12.5 tp -56.43 -50.14 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.398 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -49.96 -43.95 50.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.385 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.414 ' HB3' HG21 ' B' ' 333' ' ' THR . . . -63.41 -39.15 93.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.435 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.725 HD21 ' HB3' ' B' ' 249' ' ' LEU . 11.5 tp -59.73 -43.69 94.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.312 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.06 99.41 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.3 -40.19 81.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 0.0 110.396 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 5.8 mmm-85 -66.36 -40.24 89.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 36.0 mt -67.69 -36.89 81.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -44.19 91.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.452 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -72.53 -38.53 68.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.5 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 308' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 63.6 m-70 -70.54 -24.2 62.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.449 HD12 ' OE2' ' B' ' 269' ' ' GLU . 0.5 OUTLIER -64.31 -11.38 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.504 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.56 104.16 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.532 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.814 0.34 . . . . 0.0 110.593 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.587 ' HA ' ' HB1' ' B' ' 183' ' ' ALA . 7.7 p90 177.52 177.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 1.8 pt -124.94 151.49 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.514 HD23 ' H ' ' B' ' 326' ' ' VAL . 0.5 OUTLIER -85.39 135.5 33.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.59 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.699 HG13 ' O ' ' B' ' 326' ' ' VAL . 7.2 p -124.16 97.21 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.594 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.691 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -129.94 152.62 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 328' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 42.9 p-10 -60.08 -29.09 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 0.0 OUTLIER -146.02 133.89 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.579 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' B' ' 330' ' ' LEU . 12.9 tp -66.47 112.26 3.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 57.9 m -111.23 118.05 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.618 ' N ' ' HB2' ' B' ' 357' ' ' ALA . . . -53.68 -42.85 68.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.414 HG21 ' HB3' ' B' ' 300' ' ' ALA . 29.1 p -57.71 -41.32 81.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 86.7 m -58.99 -50.62 73.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.481 ' O ' HD23 ' B' ' 335' ' ' LEU . 1.8 tt -61.18 -38.78 87.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 336' ' ' ALA . . . . . 0.735 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -65.59 2.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' B' ' 335' ' ' LEU . 41.5 tt0 -104.57 -33.71 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.473 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 90.6 mt -103.45 150.21 37.8 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 339' ' ' PRO . . . . . 0.816 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 51.1 Cg_endo -72.81 130.58 15.9 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.813 2.342 . . . . 0.0 112.119 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 340' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' B' ' 343' ' ' LEU . 1.4 tm0? -65.59 -35.04 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.816 ' OD1' ' HB2' ' B' ' 339' ' ' PRO . 44.3 p-10 -48.13 -43.15 30.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.642 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 18.8 mmt180 -91.35 -8.15 48.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.642 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 344' ' ' VAL . 1.0 OUTLIER -109.7 120.13 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.908 HG13 ' H ' ' B' ' 345' ' ' GLY . 14.9 p -100.67 -66.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 345' ' ' GLY . . . . . 0.908 ' H ' HG13 ' B' ' 344' ' ' VAL . . . -128.72 -175.49 14.08 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 325' ' ' LEU . 0.2 OUTLIER -164.72 141.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.547 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 347' ' ' VAL . . . . . 0.677 HG22 HG23 ' B' ' 369' ' ' VAL . 19.7 t -113.31 124.63 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.691 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 11.2 m -111.01 161.52 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -100.1 1.79 42.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 352' ' ' ALA . 28.3 t0 -154.84 -93.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.633 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 17.58 50.16 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 352' ' ' ALA . . . . . 0.73 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -89.76 169.2 11.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.631 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 353' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 87.34 -154.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -107.73 47.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 69.3 m -54.09 150.15 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.593 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 356' ' ' GLN . . . . . 0.518 ' NE2' ' OD2' ' B' ' 297' ' ' ASP . 0.0 OUTLIER -48.31 -36.69 14.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.583 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 357' ' ' ALA . . . . . 0.618 ' HB2' ' N ' ' B' ' 332' ' ' ALA . . . -83.81 -20.97 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.676 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -84.29 -29.9 26.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 16.5 tt -84.25 -31.92 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 360' ' ' MET . . . . . 0.549 ' CG ' ' N ' ' B' ' 361' ' ' VAL . 2.5 ptt? -74.4 -42.85 58.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.549 ' N ' ' CG ' ' B' ' 360' ' ' MET . 8.3 p -66.53 -42.83 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.533 ' N ' HG13 ' B' ' 361' ' ' VAL . 12.2 ttm-85 -59.46 -47.88 83.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -66.22 -24.84 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -29.4 66.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.534 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 89.55 28.7 18.56 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 366' ' ' ILE . . . . . 0.627 HG23 ' O ' ' B' ' 344' ' ' VAL . 1.2 mp -105.53 126.27 31.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.65 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.49 131.72 19.38 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.898 2.398 . . . . 0.0 112.11 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 5.7 m -149.76 141.14 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 369' ' ' VAL . . . . . 0.677 HG23 HG22 ' B' ' 347' ' ' VAL . 0.0 OUTLIER -137.83 151.55 25.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.465 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 370' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -136.55 168.97 18.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.626 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 94.84 -0.27 64.63 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -60.4 114.91 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.83 44.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 9.9 tt -125.69 148.65 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.632 ' H ' ' CD ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -88.5 147.67 40.31 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 376' ' ' PRO . . . . . 0.469 ' HA ' HD12 ' B' ' 379' ' ' LEU . 51.6 Cg_endo -72.82 -13.0 26.71 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.894 2.396 . . . . 0.0 112.132 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 89.5 p -55.44 -44.65 76.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.482 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 33.4 m -90.63 23.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' B' ' 380' ' ' HIS . 13.9 mt -116.45 -31.36 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.659 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER 16.85 -84.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.2 OUTLIER -137.46 21.22 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -62.14 167.97 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.599 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 24.2 m -87.58 128.05 35.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.471 HD12 ' O ' ' B' ' 394' ' ' LEU . 19.5 tp -136.16 118.97 16.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.505 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 385' ' ' ILE . . . . . 0.876 HD12 ' N ' ' B' ' 385' ' ' ILE . 2.7 mp -98.84 113.85 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.623 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 1.3 p -97.75 133.34 40.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.675 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.8 t0 -124.44 87.67 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 388' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -51.65 -44.11 54.02 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -52.54 23.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.333 . . . . 0.0 110.628 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 390' ' ' ARG . . . . . 0.546 ' NH1' ' OE2' ' B' ' 392' ' ' GLU . 6.9 mmm180 -103.43 7.35 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.468 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 40.39 47.6 3.68 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 392' ' ' GLU . . . . . 0.696 ' C ' HD23 ' B' ' 393' ' ' LEU . 6.2 mt-10 -114.65 153.45 30.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.593 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.696 HD23 ' C ' ' B' ' 392' ' ' GLU . 0.5 OUTLIER -127.28 109.65 12.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.54 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 22.5 mt -93.33 156.49 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.628 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.598 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 94.3 t -129.74 111.06 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' B' ' 395' ' ' VAL . 23.3 m-20 24.27 54.47 0.28 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.598 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 45.8 Cg_endo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 122.78 2.32 . . . . 0.0 112.092 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 3' ' ' VAL . 43.6 m -83.39 158.13 22.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.613 ' O ' HG12 ' A' ' 3' ' ' VAL . 1.0 OUTLIER -132.56 118.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.648 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -125.61 172.36 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.657 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 6' ' ' THR . 15.4 tm0? -161.21 133.46 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.536 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.586 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 63.6 p -79.68 129.19 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.599 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.7 p -130.15 125.55 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.8 125.56 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.595 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.8 mt -88.64 104.66 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -83.25 59.37 4.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.636 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 62.2 21.42 12.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -162.05 103.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 2.5 pp -65.91 -6.84 13.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.625 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.663 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 124.76 45.99 0.25 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' HIS . 6.6 tpt 71.0 70.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.557 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.749 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -39.53 148.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.525 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 86.3 33.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.775 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -167.75 -69.12 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.55 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.775 ' HD3' ' CB ' ' A' ' 18' ' ' ARG . 50.4 Cg_exo -49.24 -53.85 6.37 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.888 2.392 . . . . 0.0 112.109 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.508 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -62.7 -44.39 96.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.581 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -67.19 -42.28 84.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -62.05 -36.93 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.66 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.631 HD11 ' CG2' ' A' ' 79' ' ' VAL . 7.1 mt -50.32 -44.68 54.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.59 -37.52 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -74.59 -34.46 62.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.694 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.854 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 34.7 mt -68.44 -41.04 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.581 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.852 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 47.9 ttm -57.56 -28.8 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.578 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -86.33 -29.77 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.631 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.52 -24.19 44.01 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.854 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.7 p90 -120.39 136.79 54.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.759 0.314 . . . . 0.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.739 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 91.8 m-20 -78.96 109.96 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.548 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.794 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.8 147.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.75 127.77 43.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.816 ' O ' HD12 ' A' ' 35' ' ' LEU . 31.6 t -106.01 133.37 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.491 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 34' ' ' VAL . 6.3 mp -134.41 138.05 44.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.651 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -106.24 151.32 24.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.49 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.643 ' H ' HD12 ' A' ' 63' ' ' ILE . 52.8 mtt180 -148.41 133.35 18.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.406 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 63.0 m-80 -91.75 155.65 18.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.62 -28.99 23.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.586 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.75 -11.92 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.44 11.01 58.76 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 38' ' ' ASN . 44.4 p -83.92 117.49 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.735 0.303 . . . . 0.0 110.546 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.485 ' HG2' ' HE ' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -78.24 103.08 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.568 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.1 65.45 7.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.52 ' CD ' HD21 ' A' ' 47' ' ' ASN . 6.8 tt0 -41.12 120.68 1.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.76 -8.77 7.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.432 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.52 HD21 ' CD ' ' A' ' 45' ' ' GLU . 51.7 p30 -100.56 27.03 6.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.531 ' OG ' ' NE ' ' B' ' 253' ' ' ARG . 0.3 OUTLIER -145.72 123.75 12.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.601 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.446 HG11 HD12 ' B' ' 248' ' ' LEU . 17.1 m -63.62 -35.43 72.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 51' ' ' ALA . 12.4 tt -61.46 -36.9 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.96 -42.67 89.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.508 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 6.5 mp -58.3 -38.42 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' B' ' 291' ' ' LEU . 52.6 mt -65.2 -36.39 84.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.465 ' HA ' HD11 ' B' ' 286' ' ' LEU . 53.0 ttm -68.43 -36.55 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.1 mt -63.23 -35.18 79.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.487 ' OD2' HD22 ' B' ' 291' ' ' LEU . 74.1 m-20 -53.08 -34.66 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.6 p -76.79 -6.58 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.89 28.59 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.524 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -68.57 97.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.6 4.93 39.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.2 165.42 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -98.71 142.21 30.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.643 HD12 ' H ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -129.56 162.27 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -124.9 101.31 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 5' ' ' GLN . 4.0 m -80.83 130.16 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -122.03 140.15 52.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.68 130.7 26.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.647 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.463 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.5 t -121.39 141.14 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.44 -176.54 19.58 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.08 -37.05 3.73 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.788 2.325 . . . . 0.0 112.129 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 74' ' ' GLU . 13.6 mm-40 -97.81 3.01 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.42 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 71' ' ' GLN . 18.4 pt-20 -35.46 -42.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.529 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 41.0 tp10 -58.17 -49.48 76.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 71' ' ' GLN . 68.9 mm-40 -58.93 -50.45 74.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.07 77.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -44.21 90.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.38 99.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.51 98.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.631 ' CG2' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -66.49 -43.12 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.623 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.531 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -64.05 -41.81 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.456 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.58 -35.68 81.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.554 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 82' ' ' LEU . 1.3 mm? -73.43 -36.57 65.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.3 m-85 -71.12 -32.31 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 85' ' ' SER . 35.8 m-80 -81.85 -4.62 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.5 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.548 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.75 137.15 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.717 ' HE ' ' N ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -87.34 111.99 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -115.77 157.08 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.61 ' N ' ' CD2' ' B' ' 174' ' ' LEU . 2.6 mm? -77.51 117.4 65.3 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.557 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.27 111.94 3.32 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.906 2.404 . . . . 0.0 112.102 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -88.88 -32.1 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.543 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -143.85 103.78 4.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.662 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.11 139.14 15.7 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.923 2.415 . . . . 0.0 112.14 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 141.49 164.7 10.1 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 180' ' ' VAL . . . . . 0.41 HG12 ' N ' ' B' ' 181' ' ' ALA . 98.3 t -110.57 153.38 12.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.349 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 181' ' ' ALA . . . . . 0.41 ' N ' HG12 ' B' ' 180' ' ' VAL . . . -155.69 129.46 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.604 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 182' ' ' ILE . . . . . 0.498 HG23 ' O ' ' B' ' 182' ' ' ILE . 14.1 tt -123.49 121.92 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.525 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . -174.71 174.21 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.51 150.49 25.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.626 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.536 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -78.37 141.43 24.84 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -144.52 120.36 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.515 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 87.4 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.665 0.269 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 0.617 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 7.6 mp -43.46 116.51 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.688 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 83.7 m-20 -151.2 44.39 0.29 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.543 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.688 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 58.5 Cg_exo -46.72 -49.25 12.5 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.736 2.291 . . . . 0.0 112.102 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -52.87 -56.35 16.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -44.37 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.588 ' HB3' HG11 ' B' ' 262' ' ' VAL . 0.0 OUTLIER -61.46 -54.4 43.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -53.61 -48.28 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.439 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 210' ' ' GLU . . . . . 0.446 ' HA ' ' OG1' ' B' ' 213' ' ' THR . 4.9 mt-10 -64.66 -35.63 81.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.466 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -54.38 -47.12 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -50.25 49.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 213' ' ' THR . . . . . 0.446 ' OG1' ' HA ' ' B' ' 210' ' ' GLU . 68.1 p -56.14 -52.25 65.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.19 -35.97 92.31 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -74.9 -41.05 60.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' B' ' 220' ' ' ALA . 10.3 tp -58.01 -49.75 75.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.995 ' O ' ' HB3' ' B' ' 221' ' ' ASN . 40.8 mm-40 -55.58 -33.97 64.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 218' ' ' GLU . . . . . 0.59 ' O ' ' CB ' ' B' ' 222' ' ' GLU . 2.2 mt-10 -83.7 -25.3 30.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.449 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -92.87 -59.33 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.464 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.576 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.72 -50.5 70.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.545 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.995 ' HB3' ' O ' ' B' ' 217' ' ' GLU . 1.3 t30 -66.29 -34.1 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.59 ' CB ' ' O ' ' B' ' 218' ' ' GLU . 3.8 tm-20 -71.62 -35.06 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.474 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -77.45 -41.03 41.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.454 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -62.68 -40.59 97.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -72.6 -33.34 66.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.494 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -51.79 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.616 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 227' ' ' SER . . . . . 0.641 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 64.1 p -64.79 -37.46 87.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.428 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -52.63 -36.7 57.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 229' ' ' ARG . . . . . 0.428 ' HD3' HH21 ' B' ' 229' ' ' ARG . 33.1 ttp-105 -78.42 -46.07 20.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' B' ' 234' ' ' ALA . 11.8 m-85 -52.17 -49.47 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -45.64 -38.7 6.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 232' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' B' ' 229' ' ' ARG . . . -51.85 -20.9 2.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 233' ' ' GLY . . . . . 0.74 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -143.64 -63.6 0.02 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.74 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -34.31 172.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.521 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.712 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 0.6 OUTLIER -82.88 168.65 16.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 236' ' ' LYS . . . . . 0.712 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 0.0 OUTLIER -60.02 -27.76 67.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.83 -52.24 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.621 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.424 ' OG1' ' SD ' ' B' ' 360' ' ' MET . 1.2 m -54.63 -57.75 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -51.9 -41.19 61.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.556 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.36 83.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.486 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.11 -50.87 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.641 ' HB2' ' HB3' ' B' ' 227' ' ' SER . 0.0 OUTLIER -52.81 -60.43 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.493 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.618 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 35.3 t0 -41.81 -41.29 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.498 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 9.0 tp -80.44 -37.5 31.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.605 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -62.57 -53.2 58.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 15.8 p -53.96 -42.92 69.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 15.6 t60 -71.59 -28.17 63.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.541 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 8.9 tt -74.01 -43.82 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.591 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.644 HD21 HD13 ' B' ' 301' ' ' LEU . 0.3 OUTLIER -77.9 -40.21 40.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 250' ' ' SER . . . . . 0.412 ' HG ' ' HA ' ' B' ' 247' ' ' HIS . 77.1 p -70.0 -21.4 63.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.626 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.837 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 38.1 p-10 -51.02 127.65 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.503 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 9.5 t -61.27 4.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.569 ' H ' ' C ' ' B' ' 251' ' ' ASP . 85.9 mtt-85 -80.55 -40.01 26.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 254' ' ' LEU . . . . . 0.48 ' O ' HD13 ' B' ' 254' ' ' LEU . 0.1 OUTLIER -65.43 -45.85 82.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.639 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -43.4 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -60.61 -42.96 97.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.594 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -62.66 -50.11 72.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.703 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.477 ' CD1' HG12 ' B' ' 272' ' ' VAL . 2.2 tt -61.21 -58.41 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.691 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 259' ' ' PHE . . . . . 0.75 ' O ' HG22 ' B' ' 262' ' ' VAL . 89.4 t80 -52.17 -35.84 49.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.18 89.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.704 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.59 -45.93 77.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 262' ' ' VAL . . . . . 0.75 HG22 ' O ' ' B' ' 259' ' ' PHE . 1.3 m -66.02 -31.19 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.545 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -51.99 -19.76 2.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.55 -17.76 17.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.568 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 122.21 17.77 3.59 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 70.7 m -83.2 153.89 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 267' ' ' VAL . . . . . 0.545 HG13 ' H ' ' B' ' 270' ' ' TRP . 12.0 p -97.94 147.16 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.532 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.588 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -50.28 -46.6 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.412 ' H ' HG22 ' B' ' 267' ' ' VAL . 0.8 OUTLIER -41.74 -54.67 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.486 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 270' ' ' TRP . . . . . 0.545 ' H ' HG13 ' B' ' 267' ' ' VAL . 0.0 OUTLIER -81.23 -36.8 29.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.538 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.642 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -52.1 -53.0 47.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.581 HG22 ' O ' ' B' ' 268' ' ' ALA . 18.0 m -67.79 -31.9 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -73.65 -50.08 22.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 274' ' ' THR . . . . . 0.496 ' OG1' ' CE3' ' B' ' 270' ' ' TRP . 11.6 m -65.41 -55.84 15.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.544 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 271' ' ' ALA . 94.0 t -47.51 -56.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.514 HD13 ' O ' ' B' ' 272' ' ' VAL . 1.5 mp -57.36 -43.38 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -63.09 -39.77 95.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.653 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -36.18 78.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -71.79 -32.71 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 280' ' ' ALA . . . . . 0.417 ' HB3' ' OE2' ' B' ' 281' ' ' GLU . . . -66.77 -35.5 80.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.505 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.489 ' N ' ' OE2' ' B' ' 281' ' ' GLU . 0.1 OUTLIER -72.5 -41.52 65.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.462 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -61.64 -41.95 98.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.519 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.547 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 5.5 m-30 -71.01 -35.72 72.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.93 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.565 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -43.98 -32.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.644 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 1.112 HD12 ' OD1' ' B' ' 288' ' ' ASP . 1.7 mm? -62.48 161.64 11.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.541 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 98.2 p -109.48 -22.41 12.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 1.112 ' OD1' HD12 ' B' ' 286' ' ' LEU . 2.2 p-10 -59.01 94.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 289' ' ' ASN . . . . . 0.422 ' HA ' ' HG3' ' B' ' 292' ' ' LYS . 1.8 m-80 -65.64 -28.68 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.605 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 290' ' ' TYR . . . . . 0.621 ' C ' HD12 ' B' ' 291' ' ' LEU . 70.1 m-85 -58.5 -16.21 14.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.613 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.642 ' O ' ' N ' ' B' ' 294' ' ' ARG . 4.3 mp -144.45 -52.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.589 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.728 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -31.94 -39.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.425 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 293' ' ' GLU . . . . . 0.646 ' N ' ' HG3' ' B' ' 292' ' ' LYS . 7.2 tm-20 -55.1 -20.03 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.518 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.773 HH11 ' CG ' ' B' ' 297' ' ' ASP . 3.7 mmp_? -41.57 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.512 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 295' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -43.5 -47.24 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.502 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.44 -44.6 28.64 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.773 ' CG ' HH11 ' B' ' 294' ' ' ARG . 1.2 m-20 -63.06 -42.64 99.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 298' ' ' LEU . . . . . 0.424 HD13 HD23 ' B' ' 301' ' ' LEU . 3.1 mm? -53.5 -53.84 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 299' ' ' ARG . . . . . 0.403 HH21 ' HD2' ' B' ' 299' ' ' ARG . 7.3 mmm180 -55.22 -39.0 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.423 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.437 ' HB2' HG21 ' B' ' 333' ' ' THR . . . -66.37 -40.15 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.374 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.921 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.1 OUTLIER -54.39 -42.45 70.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.502 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 302' ' ' GLY . . . . . 0.581 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -62.87 -43.22 99.25 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.24 -42.44 98.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.386 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.578 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 0.5 OUTLIER -69.26 -40.15 77.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.355 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 1.3 tp -68.52 -39.08 81.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.341 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.54 -43.17 97.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.466 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -64.79 -41.64 95.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.535 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 308' ' ' HIS . . . . . 0.452 ' ND1' ' O ' ' B' ' 304' ' ' ARG . 37.3 m80 -73.52 -24.34 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.513 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.05 -21.28 64.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -108.32 118.93 38.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.686 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.519 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.837 0.351 . . . . 0.0 110.578 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 5.2 m-85 -173.33 157.05 3.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.49 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.525 HG13 ' HB3' ' B' ' 183' ' ' ALA . 4.8 mt -117.37 151.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.553 HD13 ' N ' ' B' ' 326' ' ' VAL . 0.1 OUTLIER -97.64 126.56 43.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.565 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.553 ' N ' HD13 ' B' ' 325' ' ' LEU . 0.0 OUTLIER -129.34 96.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.515 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -130.36 158.06 40.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 328' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 17.8 p30 -73.87 -24.7 59.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.49 124.74 12.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.734 HD13 HG22 ' B' ' 348' ' ' VAL . 2.3 tp -75.98 122.01 23.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.637 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 331' ' ' SER . . . . . 0.536 ' O ' ' OG1' ' B' ' 334' ' ' THR . 70.2 m -135.9 133.81 38.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.62 -44.17 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.642 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' B' ' 334' ' ' THR . 2.7 t -48.42 -44.11 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 334' ' ' THR . . . . . 0.545 ' N ' ' CG2' ' B' ' 333' ' ' THR . 5.6 p -71.75 -51.27 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' B' ' 343' ' ' LEU . 0.1 OUTLIER -59.18 -34.05 71.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.502 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.26 8.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.566 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' B' ' 335' ' ' LEU . 0.7 OUTLIER -106.41 -32.43 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 3.0 mp -113.1 119.05 43.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.65 144.12 11.28 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.858 2.372 . . . . 0.0 112.087 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -60.29 -25.02 65.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -58.95 -45.25 90.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.493 HH11 ' CG ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -77.46 -7.46 56.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.624 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.576 ' CD1' HD21 ' B' ' 335' ' ' LEU . 5.1 tt -100.6 100.43 11.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 28.1 m -110.76 8.39 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.679 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -176.95 151.09 10.79 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.6 142.45 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 347' ' ' VAL . . . . . 0.475 HG13 HG12 ' B' ' 326' ' ' VAL . 0.5 OUTLIER -149.27 110.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.595 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.734 HG22 HD13 ' B' ' 330' ' ' LEU . 0.2 OUTLIER -110.0 154.46 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.577 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 349' ' ' ARG . . . . . 0.46 HH21 ' HD3' ' B' ' 349' ' ' ARG . 36.9 mtp-105 -89.86 -32.53 16.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.638 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' B' ' 351' ' ' GLY . 10.7 t70 -132.77 -120.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.629 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 25.39 75.78 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 352' ' ' ALA . . . . . 0.778 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -116.54 178.92 4.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.803 0.335 . . . . 0.0 110.451 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 353' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 94.08 -141.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.555 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 354' ' ' ASN . . . . . 0.459 ' HB3' HD11 ' B' ' 359' ' ' ILE . 11.0 m120 -95.24 62.05 2.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.74 144.61 41.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.39 -55.58 8.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.82 -32.02 67.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.444 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.84 92.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.487 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' B' ' 354' ' ' ASN . 79.7 mt -76.03 -29.53 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.471 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 360' ' ' MET . . . . . 0.424 ' SD ' ' OG1' ' B' ' 238' ' ' THR . 5.8 ttt -65.78 -55.58 16.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.501 HG23 ' N ' ' B' ' 362' ' ' ARG . 35.8 m -59.08 -42.58 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.501 ' N ' HG23 ' B' ' 361' ' ' VAL . 5.6 ttm-85 -58.82 -55.39 35.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.02 -30.12 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.519 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 364' ' ' LEU . . . . . 0.4 HD23 ' O ' ' B' ' 360' ' ' MET . 1.2 mm? -66.82 -31.54 72.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.575 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.52 27.74 19.02 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.61 130.78 22.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.939 0.4 . . . . 0.0 110.639 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.24 124.35 8.96 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.781 2.321 . . . . 0.0 112.167 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 53.8 m -141.75 142.37 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.643 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 369' ' ' VAL . . . . . 0.483 ' HB ' HG21 ' B' ' 386' ' ' VAL . 0.5 OUTLIER -136.01 146.42 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.608 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.465 ' O ' ' N ' ' B' ' 174' ' ' LEU . 1.7 mtp -134.02 163.16 30.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 93.03 5.56 63.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -58.52 110.57 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.473 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.28 31.74 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.6 tp -119.16 136.46 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.645 ' O ' HG22 ' B' ' 378' ' ' VAL . 3.7 mm100 -75.4 143.62 76.53 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -72.45 -23.05 20.72 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.805 2.337 . . . . 0.0 112.144 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 45.1 t -52.55 -40.27 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 378' ' ' VAL . . . . . 0.645 HG22 ' O ' ' B' ' 375' ' ' GLN . 28.5 m -77.76 -31.08 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' B' ' 381' ' ' ARG . 72.7 mt -69.75 -37.28 76.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.536 ' O ' ' O ' ' B' ' 185' ' ' GLY . 3.1 t-80 31.84 -84.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.508 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.695 ' N ' ' O ' ' B' ' 379' ' ' LEU . 1.2 ptp85 -143.11 28.16 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.43 170.71 15.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.611 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 383' ' ' THR . . . . . 0.664 HG22 ' CD1' ' B' ' 385' ' ' ILE . 77.5 m -75.6 124.41 27.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.63 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.614 HD11 HD11 ' B' ' 393' ' ' LEU . 7.5 tp -124.94 112.39 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.481 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 385' ' ' ILE . . . . . 0.715 HG22 ' O ' ' B' ' 385' ' ' ILE . 1.8 mp -111.57 90.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.622 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 386' ' ' VAL . . . . . 0.483 HG21 ' HB ' ' B' ' 369' ' ' VAL . 7.4 p -82.79 156.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.4 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.715 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.3 t0 -136.04 90.0 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.82 -46.63 31.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -50.95 -40.1 56.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.781 0.324 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 390' ' ' ARG . . . . . 0.476 ' O ' ' HG3' ' B' ' 392' ' ' GLU . 0.5 OUTLIER -114.39 11.57 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.526 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 34.35 46.68 0.54 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 392' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' B' ' 390' ' ' ARG . 46.7 mt-10 -112.46 151.45 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.574 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.614 HD11 HD11 ' B' ' 384' ' ' LEU . 4.3 tt -126.32 117.9 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.565 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 79.7 mt -105.76 153.28 22.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.581 ' O ' ' C ' ' B' ' 396' ' ' ASP . 0.0 OUTLIER -126.36 107.44 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.581 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.0 OUTLIER 24.65 55.45 0.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.565 ' HG3' ' HB3' ' B' ' 394' ' ' LEU . 43.6 Cg_endo . . . . . 0 C--N 1.305 -1.732 0 C-N-CA 122.762 2.308 . . . . 0.0 112.068 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.4 p -83.3 158.65 22.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.6 t -132.29 119.87 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -127.28 172.31 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.633 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -162.41 133.49 5.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.5 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' OE1' ' A' ' 62' ' ' GLN . 86.1 m -78.62 129.58 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.712 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.508 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 16.4 m -130.52 123.59 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.424 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 24.1 pt-20 -80.46 128.02 33.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.644 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 mm -91.51 105.72 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.479 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 1.066 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 47.0 p -83.59 56.84 3.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.636 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 1.066 ' OD1' ' C ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 64.66 20.62 12.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -161.38 103.35 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -2.39 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.586 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.678 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 115.11 31.59 2.02 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.678 ' CB ' ' O ' ' A' ' 14' ' ' GLY . 7.9 tpt 94.88 49.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.83 0.348 . . . . 0.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.727 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 21.3 p80 -31.01 91.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 158.49 -31.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.918 ' H ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -109.2 -42.03 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.537 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.918 ' HD2' ' H ' ' A' ' 18' ' ' ARG . 34.1 Cg_endo -67.58 -50.11 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.767 2.311 . . . . 0.0 112.131 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.591 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -63.87 -39.89 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.519 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.647 ' SD ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -74.56 -42.06 59.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.687 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 17.2 mtpp -59.71 -38.53 81.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.429 HD21 HG11 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -48.82 -46.07 41.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.69 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -56.37 -38.51 71.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -74.19 -33.99 63.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.915 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 68.5 mt -69.99 -38.6 76.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.712 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.857 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 24.0 ttp -60.05 -27.23 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.573 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -87.68 -30.05 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.718 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.79 -27.78 37.15 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.915 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.9 p90 -117.23 138.84 51.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.75 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 16.5 m-20 -80.35 111.7 16.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.454 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 155.64 148.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.73 ' OE1' HD13 ' A' ' 35' ' ' LEU . 5.3 tm-20 -98.32 127.45 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.692 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.539 ' O ' HD12 ' A' ' 35' ' ' LEU . 22.1 t -105.45 134.62 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.487 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.73 HD13 ' OE1' ' A' ' 33' ' ' GLU . 1.1 mp -135.78 136.17 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.878 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.5 mm? -105.34 150.55 25.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.42 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.709 ' O ' HG23 ' A' ' 63' ' ' ILE . 2.9 mtt180 -147.29 134.07 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.97 154.61 18.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 42.9 p-10 -51.78 -28.49 15.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.608 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 19.5 mt-10 -67.35 -10.87 55.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.592 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.37 11.3 59.8 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.22 117.35 23.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.702 0.287 . . . . 0.0 110.568 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -78.28 102.49 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.642 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -88.58 65.75 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -41.21 120.94 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.737 ' HB2' HD21 ' A' ' 36' ' ' LEU . . . -62.67 -10.32 12.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.471 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 54.7 p30 -99.58 27.56 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.6 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -145.52 123.1 11.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.755 HG21 HD23 ' B' ' 248' ' ' LEU . 1.6 m -63.0 -36.74 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.419 HG22 ' CE1' ' B' ' 283' ' ' PHE . 11.6 pt -60.82 -37.08 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.62 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.642 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.07 -43.19 93.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.535 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.591 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 6.3 mp -57.96 -39.02 77.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.62 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.753 ' HG ' HD12 ' B' ' 291' ' ' LEU . 3.8 mp -64.64 -36.45 84.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.1 ttm -68.43 -36.51 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.62 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 67.0 mt -63.37 -34.89 78.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.438 ' OD2' ' HG ' ' B' ' 291' ' ' LEU . 8.1 m-20 -53.6 -34.32 58.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.647 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.515 ' O ' ' CZ ' ' A' ' 61' ' ' ARG . 59.6 p -76.84 -6.96 54.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.58 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.69 29.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -69.43 96.74 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.44 5.04 37.33 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.515 ' CZ ' ' O ' ' A' ' 57' ' ' SER . 38.9 mtt85 -105.97 165.14 11.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.542 ' OE1' HG23 ' A' ' 6' ' ' THR . 0.5 OUTLIER -96.61 144.86 26.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.709 HG23 ' O ' ' A' ' 37' ' ' ARG . 2.4 mt -131.56 160.49 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.588 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.563 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 8.9 mt-10 -123.85 101.6 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.507 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.785 HG22 HD12 ' A' ' 36' ' ' LEU . 48.1 t -81.35 128.52 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.467 ' OE2' ' C ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -120.3 139.47 52.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.06 131.75 28.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.576 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -122.66 143.95 49.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.66 -175.05 19.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 55.4 Cg_endo -74.13 -37.27 2.77 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.849 2.366 . . . . 0.0 112.058 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.868 ' CD ' ' HB2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -95.83 -0.38 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.723 ' CD ' ' H ' ' A' ' 73' ' ' GLU . 6.0 pm0 -32.16 -42.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.65 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.723 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 29.9 tt0 -58.06 -53.58 56.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.841 ' HB2' ' HG2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -56.58 -50.67 71.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.625 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.82 ' HB2' HE22 ' A' ' 71' ' ' GLN . . . -55.61 -48.73 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.71 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.091 ' O ' HG23 ' A' ' 80' ' ' ILE . 1.8 tt -66.65 -43.24 85.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.61 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.92 ' O ' HG13 ' A' ' 80' ' ' ILE . . . -62.05 -42.67 99.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.752 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.99 97.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.705 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 75' ' ' ALA . 59.5 t -67.43 -42.4 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.091 HG23 ' O ' ' A' ' 76' ' ' LEU . 1.3 pp -65.62 -39.05 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.671 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.532 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -66.45 -35.83 81.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.677 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -73.39 -37.65 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.581 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.651 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -73.73 -23.4 59.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.641 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -88.62 -6.7 57.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.566 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.1 p . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.627 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 97.5 mt -121.33 137.74 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -88.63 111.65 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -112.54 155.45 24.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' B' ' 370' ' ' MET . 38.6 mt -74.49 115.44 43.57 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 175' ' ' PRO . . . . . 0.568 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 43.4 Cg_endo -71.4 111.32 3.07 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.785 2.323 . . . . 0.0 112.134 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -98.08 -41.3 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -129.2 100.96 19.71 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.548 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -47.4 143.45 11.35 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.829 2.353 . . . . 0.0 112.087 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 179' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 141.79 157.82 7.31 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.62 140.73 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.37 . . . . 0.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 181' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' B' ' 344' ' ' VAL . . . -152.5 147.19 25.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 182' ' ' ILE . . . . . 1.047 ' H ' HD13 ' B' ' 182' ' ' ILE . 0.2 OUTLIER -128.77 139.06 52.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 174.38 176.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.52 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 184' ' ' GLU . . . . . 0.431 ' OE1' ' CG ' ' B' ' 381' ' ' ARG . 2.1 mt-10 -77.32 159.36 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.423 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.695 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -92.62 142.52 16.04 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -157.57 121.5 4.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.613 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 202' ' ' THR . . . . . 0.585 HG23 ' OD1' ' B' ' 204' ' ' ASP . 13.2 t . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.798 0.332 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.46 130.3 23.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.703 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.9 OUTLIER -150.19 49.08 0.59 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.625 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 56.9 Cg_exo -46.92 -33.47 14.49 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.824 2.349 . . . . 0.0 112.093 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -79.19 -61.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 207' ' ' LEU . . . . . 0.505 HD12 ' OD2' ' B' ' 204' ' ' ASP . 47.6 mt -63.94 -42.13 97.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.703 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 1.5 tp10 -63.29 -61.17 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 209' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 33.7 ttp180 -54.23 -46.05 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -66.17 -36.48 83.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.524 ' NH1' ' OE1' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -55.47 -45.1 76.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 3.8 tp -66.35 -51.85 52.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 39.9 p -52.08 -47.85 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.549 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.77 85.31 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 215' ' ' ALA . . . . . 0.435 ' HB2' HD22 ' B' ' 309' ' ' LEU . . . -74.25 -42.95 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.712 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.5 OUTLIER -58.2 -45.34 87.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.691 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.42 -21.65 64.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.626 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 218' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' B' ' 222' ' ' GLU . 1.0 OUTLIER -94.82 -31.89 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.58 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.34 -46.93 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -59.31 -51.37 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 221' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -70.07 -28.5 65.48 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.613 ' OE2' ' CD2' ' B' ' 226' ' ' TYR . 1.5 tm-20 -70.33 -43.33 70.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.48 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 223' ' ' PHE . . . . . 0.627 ' CZ ' ' NH1' ' B' ' 304' ' ' ARG . 0.6 OUTLIER -70.73 -35.93 72.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.406 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 224' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' B' ' 228' ' ' LYS . 67.8 mtp180 -63.75 -48.95 74.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.572 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -73.33 -39.38 65.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.466 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.613 ' CD2' ' OE2' ' B' ' 222' ' ' GLU . 4.6 m-30 -52.27 -59.46 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 227' ' ' SER . . . . . 0.745 ' OG ' ' HB2' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -67.15 -49.6 64.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 228' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' B' ' 224' ' ' ARG . 25.5 tptt -37.79 -54.07 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 229' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' B' ' 232' ' ' ALA . 95.6 mtm-85 -63.04 -46.21 88.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.611 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.647 ' O ' ' N ' ' B' ' 234' ' ' ALA . 4.3 m-85 -52.35 -51.91 56.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 231' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -54.45 -41.41 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.453 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 232' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 229' ' ' ARG . . . -53.62 -17.08 1.88 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -129.04 -23.19 1.17 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.647 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -95.19 -157.32 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.659 ' HG3' ' H ' ' B' ' 237' ' ' GLU . 4.5 pt20 -99.13 177.34 5.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.515 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -61.74 -39.08 90.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.659 ' H ' ' HG3' ' B' ' 235' ' ' GLN . 55.8 tt0 -42.16 -46.49 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.526 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 238' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -61.99 2.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 239' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -53.95 -40.39 66.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 240' ' ' ALA . . . . . 0.486 ' HB2' HH11 ' A' ' 18' ' ' ARG . . . -59.49 -37.81 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.637 HD13 ' O ' ' B' ' 237' ' ' GLU . 1.2 mp -60.28 -56.47 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.65 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.745 ' HB2' ' OG ' ' B' ' 227' ' ' SER . 0.0 OUTLIER -53.61 -55.81 22.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.458 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.735 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 65.3 t0 -38.55 -43.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 0.561 ' O ' HD12 ' B' ' 244' ' ' LEU . 12.8 tp -74.81 -38.75 62.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.589 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' B' ' 242' ' ' PHE . 10.7 m-30 -62.5 -53.1 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.527 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 246' ' ' SER . . . . . 0.558 ' O ' ' OG ' ' B' ' 250' ' ' SER . 31.1 t -49.61 -46.46 49.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' B' ' 251' ' ' ASP . 1.6 t60 -72.37 -27.56 62.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.581 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.928 ' C ' HD13 ' B' ' 248' ' ' LEU . 2.0 tm? -69.88 -50.72 39.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.643 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.643 ' N ' HD13 ' B' ' 248' ' ' LEU . 3.1 tp -78.93 -42.94 25.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.505 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 250' ' ' SER . . . . . 0.558 ' OG ' ' O ' ' B' ' 246' ' ' SER . 51.8 p -70.37 -13.43 62.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.614 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.639 ' HB2' ' O ' ' B' ' 247' ' ' HIS . 66.3 t0 -47.88 116.63 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 80.3 p -54.89 -15.77 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.534 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 253' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -49.33 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.645 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.28 -46.69 85.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.68 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.417 HH21 ' HD3' ' B' ' 255' ' ' ARG . 11.0 ttp180 -53.14 -55.59 22.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.696 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -38.32 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.606 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.93 -43.29 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.875 HD21 HG21 ' B' ' 275' ' ' VAL . 3.3 mm? -61.16 -51.45 68.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -60.93 -34.58 74.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.758 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.18 93.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.26 -35.47 81.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.723 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.0 -34.14 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -18.85 28.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.669 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -92.56 -23.06 19.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.576 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.42 13.96 3.73 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 47.5 t -87.86 154.08 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 267' ' ' VAL . . . . . 0.51 HG12 ' OE2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -100.13 154.02 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.549 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.671 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -59.17 -46.57 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.593 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.524 ' OE1' ' NH1' ' B' ' 211' ' ' ARG . 0.6 OUTLIER -43.15 -54.28 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.515 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -84.92 -34.66 22.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.48 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.782 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -52.55 -51.33 60.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.515 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.671 HG22 ' O ' ' B' ' 268' ' ' ALA . 34.4 m -60.91 -33.31 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -74.28 -49.32 23.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.532 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 20.9 p -59.14 -54.41 47.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.875 HG21 HD21 ' B' ' 258' ' ' LEU . 33.8 m -56.89 -51.78 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.666 ' N ' HG23 ' B' ' 275' ' ' VAL . 10.3 mm -59.27 -44.33 91.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.44 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 88.1 mt-10 -63.77 -42.69 97.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -38.79 91.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -74.2 -35.51 63.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.5 68.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 3.0 mp0 -68.89 -37.69 79.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -64.71 -40.65 95.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.565 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' B' ' 298' ' ' LEU . 7.9 m-85 -64.06 -44.23 93.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.511 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.25 77.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.614 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -43.89 -32.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.988 HD12 ' OD2' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -63.09 155.16 28.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.479 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 287' ' ' SER . . . . . 0.415 ' O ' ' N ' ' B' ' 289' ' ' ASN . 37.2 m -89.87 -36.08 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.713 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.988 ' OD2' HD12 ' B' ' 286' ' ' LEU . 0.6 OUTLIER -50.88 93.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 289' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 287' ' ' SER . 10.4 p-10 -60.59 -39.31 87.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.27 -22.24 51.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.753 HD12 ' HG ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -117.26 -55.97 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.658 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -35.09 -36.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.411 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 293' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' B' ' 292' ' ' LYS . 10.9 tm-20 -51.92 -33.46 37.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' B' ' 297' ' ' ASP . 0.9 OUTLIER -38.27 -35.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 295' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' B' ' 294' ' ' ARG . . . -35.83 -51.32 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.412 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -55.21 -40.1 73.84 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' B' ' 294' ' ' ARG . 96.5 m-20 -63.39 -47.75 80.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.831 0.348 . . . . 0.0 110.448 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 298' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -54.87 -51.06 67.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.355 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -59.96 -41.26 91.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.376 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.792 ' CB ' HG21 ' B' ' 333' ' ' THR . . . -62.53 -39.74 94.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.356 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.87 -42.43 99.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.289 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -54.34 -48.73 63.04 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 303' ' ' GLN . . . . . 0.575 ' HG2' ' N ' ' B' ' 304' ' ' ARG . 0.5 OUTLIER -55.58 -42.09 74.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.788 0.327 . . . . 0.0 110.358 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.627 ' NH1' ' CZ ' ' B' ' 223' ' ' PHE . 6.4 mmm-85 -65.47 -45.09 85.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.382 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -36.14 82.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.513 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 17.7 tp -67.31 -35.91 80.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 307' ' ' PHE . . . . . 0.51 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.1 m-85 -64.34 -43.23 95.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 308' ' ' HIS . . . . . 0.415 ' C ' ' N ' ' B' ' 310' ' ' ASP . 32.5 m80 -71.93 -29.12 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' B' ' 309' ' ' LEU . 0.2 OUTLIER -47.11 -20.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 310' ' ' ASP . . . . . 0.51 ' OD1' ' O ' ' B' ' 307' ' ' PHE . 0.5 OUTLIER -108.55 115.38 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.404 HH21 ' HD3' ' B' ' 322' ' ' ARG . 3.5 mtt180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.744 0.307 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.671 ' CE2' ' NE ' ' B' ' 342' ' ' ARG . 1.8 p90 -154.98 166.24 34.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.61 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.406 HG13 ' HB3' ' B' ' 183' ' ' ALA . 20.8 mt -119.64 138.32 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.577 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.506 HD23 ' N ' ' B' ' 326' ' ' VAL . 0.9 OUTLIER -83.44 122.1 28.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' B' ' 376' ' ' PRO . 42.1 t -123.14 90.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.62 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.505 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -125.18 147.63 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 328' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 18.5 p-10 -65.36 -30.07 70.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -139.89 125.8 19.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' B' ' 330' ' ' LEU . 18.8 tp -73.5 121.78 21.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.545 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 74.0 m -120.97 119.56 32.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.659 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.41 ' H ' ' HB2' ' B' ' 357' ' ' ALA . . . -58.56 -46.59 86.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.792 HG21 ' CB ' ' B' ' 300' ' ' ALA . 3.8 t -56.84 -36.92 70.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.612 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 59.8 m -68.26 -45.61 72.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.669 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.3 OUTLIER -51.86 -36.48 48.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.402 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -63.05 18.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.669 ' H ' ' C ' ' B' ' 335' ' ' LEU . 67.5 mt-10 -110.77 -48.09 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 20.1 mt -100.25 120.59 56.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 339' ' ' PRO . . . . . 0.521 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 52.3 Cg_exo -47.48 138.83 18.19 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.908 2.405 . . . . 0.0 112.203 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -10.38 50.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.548 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.734 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 12.1 p30 -66.61 -40.04 88.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.435 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.734 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 11.4 ptm180 -86.67 -16.11 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.574 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 37.8 tp -73.68 104.38 4.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 323' ' ' PHE . 33.7 m -120.22 27.99 3.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.505 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 151.87 154.95 6.8 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.409 ' CG2' ' N ' ' B' ' 347' ' ' VAL . 1.5 p -155.33 153.13 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.765 0.316 . . . . 0.0 110.54 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 347' ' ' VAL . . . . . 0.409 ' N ' ' CG2' ' B' ' 346' ' ' VAL . 12.9 m -148.32 140.27 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.614 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 35.0 m -132.07 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 349' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' B' ' 372' ' ' ALA . 6.5 ptm180 -117.99 1.56 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.892 ' O ' ' N ' ' B' ' 352' ' ' ALA . 1.3 t70 -143.38 -48.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -48.56 60.8 0.0 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 352' ' ' ALA . . . . . 0.892 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -42.08 157.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.546 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 353' ' ' ALA . . . . . 0.49 ' HB1' HH12 ' B' ' 362' ' ' ARG . . . -70.58 31.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.452 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 354' ' ' ASN . . . . . 0.559 ' H ' ' C ' ' B' ' 352' ' ' ALA . 16.8 m120 -111.03 -13.42 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 96.5 p -80.1 152.32 29.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.504 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -61.21 -36.16 79.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 357' ' ' ALA . . . . . 0.41 ' HB2' ' H ' ' B' ' 332' ' ' ALA . . . -61.44 -43.19 99.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 358' ' ' ALA . . . . . 0.447 ' HA ' HD23 ' B' ' 330' ' ' LEU . . . -60.92 -39.87 91.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.1 mt -67.54 -36.94 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -62.83 -50.6 70.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.457 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.436 HG12 ' N ' ' B' ' 362' ' ' ARG . 0.9 OUTLIER -65.07 -44.0 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.49 HH12 ' HB1' ' B' ' 353' ' ' ALA . 6.9 ttm-85 -58.09 -45.53 87.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.402 ' HB3' ' OE1' ' B' ' 235' ' ' GLN . . . -69.61 -23.79 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 364' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' B' ' 364' ' ' LEU . 32.8 tp -69.75 -29.41 66.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.478 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 95.09 28.8 9.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 366' ' ' ILE . . . . . 0.414 HG13 HD23 ' B' ' 364' ' ' LEU . 41.5 mm -106.7 127.37 28.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.892 0.377 . . . . 0.0 110.644 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.26 125.29 10.26 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.934 2.423 . . . . 0.0 112.166 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 368' ' ' THR . . . . . 0.406 HG23 HG13 ' B' ' 346' ' ' VAL . 8.1 m -141.44 134.41 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.62 152.57 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.629 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 1.7 tmm? -135.0 153.25 52.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 96.31 -7.26 66.38 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 372' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' B' ' 349' ' ' ARG . . . -49.28 109.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.303 . . . . 0.0 110.57 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 60.1 p30 -104.37 25.85 9.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.535 HG23 ' O ' ' B' ' 374' ' ' ILE . 10.5 tp -101.39 124.8 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.714 ' H ' ' CD ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -69.29 124.64 90.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 376' ' ' PRO . . . . . 0.558 ' HB3' HG11 ' B' ' 326' ' ' VAL . 51.4 Cg_endo -73.16 -7.99 21.38 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.842 2.361 . . . . 0.0 112.09 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 40.3 t -64.28 -35.92 82.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.511 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 58.2 t -82.07 -41.16 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.453 ' CA ' ' HB2' ' B' ' 382' ' ' ARG . 10.2 mp -78.85 -74.29 0.29 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.609 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.695 ' O ' ' O ' ' B' ' 185' ' ' GLY . 1.8 m-70 59.77 -104.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.599 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.431 ' CG ' ' OE1' ' B' ' 184' ' ' GLU . 32.4 ttt180 -78.35 -0.37 28.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.49 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 382' ' ' ARG . . . . . 0.453 ' HB2' ' CA ' ' B' ' 379' ' ' LEU . 1.7 mtt-85 -64.61 163.15 14.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.491 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.28 127.93 34.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.542 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.417 ' HG ' HD23 ' B' ' 379' ' ' LEU . 0.6 OUTLIER -130.13 109.06 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.439 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 385' ' ' ILE . . . . . 0.69 HG23 HG22 ' B' ' 182' ' ' ILE . 4.8 mp -100.97 110.95 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 1.5 p -97.4 146.16 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.395 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.69 ' O ' ' N ' ' B' ' 391' ' ' GLY . 66.4 t0 -135.1 82.07 1.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 388' ' ' GLY . . . . . 0.568 ' O ' ' HB3' ' B' ' 175' ' ' PRO . . . -47.74 -48.0 23.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 389' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' B' ' 388' ' ' GLY . 27.2 t80 -39.52 -52.55 2.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.26 8.25 19.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.521 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 41.79 55.06 4.11 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.66 152.76 36.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.476 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 90.3 mt -121.48 125.77 47.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 16.1 mt -112.49 150.69 30.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 1.016 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 12.0 t -118.76 102.87 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.614 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.68 ' C ' ' O ' ' B' ' 395' ' ' VAL . 35.8 p-10 5.29 54.18 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.537 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 1.016 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 50.4 Cg_exo . . . . . 0 C--N 1.305 -1.748 0 C-N-CA 122.801 2.334 . . . . 0.0 112.072 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.716 HG23 HG23 ' A' ' 68' ' ' THR . 0.1 OUTLIER -82.43 158.04 23.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -132.61 118.86 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 171.17 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -160.02 133.72 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.1 p -79.63 129.12 34.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.4 p -130.1 125.08 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.514 ' CD ' ' N ' ' A' ' 8' ' ' GLU . 1.4 pm0 -81.88 125.44 30.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.66 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.105 HG21 ' O ' ' A' ' 58' ' ' ALA . 17.8 tt -88.53 105.56 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.611 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.1 p -82.67 57.01 3.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.448 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 63.57 23.19 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.4 103.3 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.977 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -66.85 -0.98 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.637 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.9 -76.61 0.26 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.456 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 30.8 mmm -134.03 -163.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.497 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.75 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -55.47 -23.95 28.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 154.57 0.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.533 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.595 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 21.2 mtt-85 -54.47 -45.62 99.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 50.8 Cg_exo -48.41 -49.75 13.76 Favored 'Trans proline' 0 C--N 1.303 -1.831 0 C-N-CA 122.916 2.411 . . . . 0.0 112.102 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.57 89.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.684 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -68.5 -42.56 78.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.684 ' N ' ' HG3' ' A' ' 21' ' ' MET . 7.0 tttp -63.44 -36.69 84.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD11 HG23 ' A' ' 79' ' ' VAL . 1.3 mp -49.37 -44.43 44.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 13.1 m-85 -58.24 -37.66 75.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -75.2 -34.62 61.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.606 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.889 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 4.0 mm? -68.32 -39.97 81.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.834 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 64.4 ttp -59.2 -28.34 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -86.53 -28.91 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.637 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.43 -25.62 38.84 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.8 p90 -119.04 138.02 53.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.733 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.4 m-20 -80.03 109.64 14.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.609 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.759 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 157.75 149.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.569 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 34' ' ' VAL . 9.4 tp10 -99.58 126.52 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' N ' ' OE2' ' A' ' 33' ' ' GLU . 40.8 t -104.0 134.94 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.497 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -136.15 136.53 40.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 46' ' ' ALA . 2.2 mp -107.89 149.61 28.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -147.31 134.67 20.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -91.03 155.91 18.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.76 -27.04 16.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 85.7 tt0 -68.5 -9.79 51.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.582 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.07 12.26 60.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.3 m -85.45 116.69 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.659 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 32.3 mp0 -77.59 103.63 7.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.633 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.67 65.24 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.582 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -40.78 121.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.519 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.572 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.66 -9.19 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -100.02 26.77 6.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.641 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 124.93 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.465 ' H ' HG23 ' A' ' 49' ' ' VAL . 2.3 t -64.78 -35.43 75.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.788 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -61.58 -35.63 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.615 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.633 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.02 -41.38 86.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.488 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 57.4 tp -59.39 -38.19 79.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.576 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.788 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -65.94 -34.85 79.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.483 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 2.1 tmt? -69.93 -35.54 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.63 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 26.9 tp -64.16 -35.54 81.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.611 ' OD2' HD23 ' B' ' 291' ' ' LEU . 5.2 m-20 -52.93 -35.24 58.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.2 m -76.22 -6.28 50.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.105 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -83.28 28.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -68.57 97.85 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.932 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 105.02 5.08 41.38 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 1.03 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -105.91 164.18 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.516 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -97.95 142.48 29.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.66 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -130.12 162.12 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.439 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.66 ' N ' HG13 ' A' ' 63' ' ' ILE . 99.1 mt-10 -123.4 102.31 7.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.546 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.17 127.38 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.557 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -120.1 139.78 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.616 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.47 ' HB2' HD23 ' A' ' 76' ' ' LEU . . . -137.99 131.83 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.716 HG23 HG23 ' A' ' 2' ' ' THR . 0.3 OUTLIER -124.34 128.7 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.83 161.49 8.77 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.0 -45.64 20.61 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.798 2.332 . . . . 0.0 112.117 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' GLU . 28.9 mm-40 -92.57 5.74 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 17.0 pt-20 -36.98 -37.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -64.5 -48.67 74.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.496 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -57.54 -52.08 66.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.83 -50.22 69.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.599 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.947 ' O ' HG12 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -64.14 -43.95 93.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.91 ' O ' HG13 ' A' ' 80' ' ' ILE . . . -62.58 -41.87 99.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.52 98.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.947 HG12 ' O ' ' A' ' 76' ' ' LEU . 3.4 p -65.99 -44.29 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.572 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.91 HG13 ' O ' ' A' ' 77' ' ' ALA . 1.6 pp -63.33 -41.55 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.91 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -73.6 -36.51 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.603 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.4 m-85 -69.37 -33.32 72.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.55 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.464 ' OD1' ' O ' ' A' ' 80' ' ' ILE . 18.4 m120 -82.18 -5.7 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.53 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 170' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 393' ' ' LEU . 5.9 tpm_? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 96.4 mt -122.89 130.35 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.601 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -76.09 136.81 39.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.476 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -141.33 156.9 45.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.697 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.23 114.12 28.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.81 107.35 2.32 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 176' ' ' ALA . . . . . 0.457 ' HB1' ' NH2' ' B' ' 362' ' ' ARG . . . -85.17 -39.67 17.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.478 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 177' ' ' ALA . . . . . 0.518 ' HB3' ' H ' ' B' ' 368' ' ' THR . . . -139.48 133.97 16.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.05 141.91 37.34 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.779 2.32 . . . . 0.0 112.259 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 139.4 160.74 8.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.29 137.46 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.513 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -145.23 146.81 31.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.53 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 182' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 26.7 pt -132.88 134.07 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.572 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 177.48 172.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 184' ' ' GLU . . . . . 0.958 ' O ' HG22 ' B' ' 324' ' ' ILE . 2.5 mp0 -72.73 162.48 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.588 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -93.01 134.45 12.18 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -120.09 102.55 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.544 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 187' ' ' GLN . . . . . 0.549 ' H ' ' CD ' ' B' ' 187' ' ' GLN . 2.5 pm0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.866 0.365 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 0.853 ' N ' HD23 ' B' ' 203' ' ' LEU . 0.1 OUTLIER -100.29 153.36 19.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.911 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.1 OUTLIER -155.64 104.25 2.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -71.53 -17.11 30.37 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.869 2.379 . . . . 0.0 112.036 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 206' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -100.5 -49.1 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 207' ' ' LEU . . . . . 0.482 ' O ' ' CG ' ' B' ' 211' ' ' ARG . 1.0 OUTLIER -74.6 -31.3 61.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.455 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.911 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 65.3 mm-40 -75.86 -62.27 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 209' ' ' ARG . . . . . 0.48 ' CG ' ' CD1' ' B' ' 259' ' ' PHE . 0.0 OUTLIER -49.75 -55.71 12.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.449 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 210' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' B' ' 206' ' ' ALA . 70.4 mt-10 -57.55 -43.74 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.373 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.581 ' NH1' ' OE2' ' B' ' 269' ' ' GLU . 10.6 mtp180 -52.38 -40.13 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' B' ' 258' ' ' LEU . 1.1 mp -63.7 -48.31 77.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 62.1 m -56.41 -47.43 79.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.314 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.33 -38.69 96.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.81 -43.94 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.461 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.64 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.9 tt -60.32 -46.9 88.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.509 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.45 -32.5 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 218' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 222' ' ' GLU . 19.0 tp10 -79.67 -31.47 41.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.61 -45.88 8.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.64 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.17 -51.01 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.564 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 221' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -19.38 63.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.497 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.6 OUTLIER -66.6 -52.03 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.434 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 223' ' ' PHE . . . . . 0.81 ' CD1' ' N ' ' B' ' 224' ' ' ARG . 1.6 p90 -68.0 -40.0 83.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 224' ' ' ARG . . . . . 0.81 ' N ' ' CD1' ' B' ' 223' ' ' PHE . 10.4 ttp-105 -52.54 -50.07 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -74.41 -32.02 62.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.713 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.4 OUTLIER -62.57 -62.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.508 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 227' ' ' SER . . . . . 0.724 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 90.1 p -55.54 -52.59 63.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.584 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -43.39 -37.11 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 229' ' ' ARG . . . . . 0.413 ' HB3' ' NH2' ' B' ' 229' ' ' ARG . 0.6 OUTLIER -68.93 -38.55 79.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 227' ' ' SER . 7.3 m-85 -66.51 -43.79 84.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.589 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -53.32 -37.48 62.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.557 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.35 -9.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.508 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 233' ' ' GLY . . . . . 0.975 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -165.9 -97.37 0.11 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.975 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . 8.15 -145.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 110.591 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.456 ' O ' ' OG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -107.4 151.61 25.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -62.24 -27.83 69.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -57.91 -45.36 86.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 38.6 p -52.89 -51.46 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -54.51 -41.07 69.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.69 -41.17 85.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.507 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' B' ' 241' ' ' ILE . 41.1 mm -61.63 -47.45 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.613 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.783 ' CD1' ' C ' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -56.9 -53.04 62.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.605 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.616 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 2.4 t0 -45.73 -44.51 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 0.558 ' O ' ' HG ' ' B' ' 248' ' ' LEU . 0.4 OUTLIER -75.96 -33.42 59.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.638 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.543 ' CE2' HD12 ' B' ' 249' ' ' LEU . 17.2 t80 -60.37 -41.46 93.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 246' ' ' SER . . . . . 0.513 ' O ' ' OG ' ' B' ' 250' ' ' SER . 3.1 m -57.15 -41.34 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.782 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 4.9 m-70 -61.56 -30.89 70.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.537 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.615 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 5.8 mt -74.79 -55.18 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.527 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.543 HD12 ' CE2' ' B' ' 245' ' ' TYR . 2.9 mt -69.82 -42.97 72.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 250' ' ' SER . . . . . 0.513 ' OG ' ' O ' ' B' ' 246' ' ' SER . 51.7 p -71.92 -18.02 62.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.913 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -55.85 108.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 1.6 m -57.78 -1.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.776 ' O ' ' HG3' ' B' ' 256' ' ' ARG . 0.0 OUTLIER -75.17 -39.66 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 254' ' ' LEU . . . . . 0.637 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 1.3 tp -67.73 -46.02 73.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.639 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -57.48 -48.22 79.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.677 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 256' ' ' ARG . . . . . 0.776 ' HG3' ' O ' ' B' ' 253' ' ' ARG . 5.4 ppt_? -66.82 -39.35 87.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' B' ' 256' ' ' ARG . 19.8 mm-40 -59.79 -51.78 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.586 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.503 ' CB ' HD21 ' B' ' 212' ' ' LEU . 4.8 mt -60.84 -47.63 85.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 259' ' ' PHE . . . . . 0.48 ' CD1' ' CG ' ' B' ' 209' ' ' ARG . 51.6 t80 -59.09 -36.04 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.11 84.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.649 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.54 -38.92 91.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.544 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.77 -42.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -13.44 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.552 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -24.17 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 265' ' ' GLY . . . . . 0.763 ' HA2' HD13 ' B' ' 203' ' ' LEU . . . 122.17 26.44 1.85 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 21.3 t -103.98 159.94 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.568 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 2.2 t -98.7 149.17 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.594 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.499 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -54.4 -45.53 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.581 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.581 ' OE2' ' NH1' ' B' ' 211' ' ' ARG . 19.4 mp0 -46.39 -43.9 16.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 270' ' ' TRP . . . . . 0.638 ' O ' ' HG3' ' B' ' 273' ' ' LYS . 2.8 m95 -86.19 -28.19 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -65.64 -46.91 77.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.517 HG23 ' N ' ' B' ' 273' ' ' LYS . 30.2 m -59.44 -42.64 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' B' ' 270' ' ' TRP . 0.0 OUTLIER -79.01 -44.18 22.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.595 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 274' ' ' THR . . . . . 0.567 ' H ' ' HG3' ' B' ' 273' ' ' LYS . 76.4 m -59.77 -56.49 21.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.41 HG21 ' HA ' ' B' ' 258' ' ' LEU . 59.5 t -57.6 -49.06 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.573 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' B' ' 272' ' ' VAL . 7.3 mm -58.15 -42.74 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.508 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.429 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 35.6 mm-40 -63.66 -36.69 84.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 278' ' ' LYS . . . . . 0.411 ' CB ' ' NZ ' ' B' ' 278' ' ' LYS . 0.0 OUTLIER -64.31 -39.82 94.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 279' ' ' PHE . . . . . 0.673 ' CD2' ' NE2' ' B' ' 282' ' ' GLN . 9.0 m-85 -79.39 -26.53 41.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.93 80.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.57 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 3.0 mp0 -77.68 -43.17 32.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 282' ' ' GLN . . . . . 0.673 ' NE2' ' CD2' ' B' ' 279' ' ' PHE . 3.9 pt20 -59.26 -29.86 67.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.474 ' CE2' ' HB3' ' B' ' 294' ' ' ARG . 0.2 OUTLIER -81.05 -34.1 33.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.587 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 284' ' ' ALA . . . . . 0.503 ' O ' ' NZ ' ' B' ' 292' ' ' LYS . . . -63.05 -37.34 86.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.446 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -52.0 -26.68 11.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 1.069 HD23 ' N ' ' B' ' 287' ' ' SER . 2.8 tt -47.82 132.82 14.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 287' ' ' SER . . . . . 1.069 ' N ' HD23 ' B' ' 286' ' ' LEU . 96.8 p -82.24 -46.15 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.534 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.76 ' O ' HD22 ' B' ' 286' ' ' LEU . 0.0 OUTLIER -65.39 131.77 47.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.525 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 289' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' B' ' 292' ' ' LYS . 0.1 OUTLIER -82.04 -20.41 38.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 290' ' ' TYR . . . . . 0.495 ' CB ' ' OD2' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -59.54 -34.1 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.611 HD23 ' OD2' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -109.34 -37.59 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.612 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.718 ' N ' HD13 ' B' ' 286' ' ' LEU . 13.3 tttp -44.53 -42.9 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -29.03 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.45 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.481 ' NH2' HD11 ' B' ' 248' ' ' LEU . 2.2 ttm-85 -46.1 -33.98 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -44.57 -48.91 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.73 -42.44 28.44 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -66.63 -40.05 88.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.82 0.343 . . . . 0.0 110.442 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 298' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' B' ' 301' ' ' LEU . 0.1 OUTLIER -61.2 -56.08 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.462 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 49.8 ttp85 -53.63 -42.87 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.299 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -65.3 -36.92 85.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.512 HD13 ' OH ' ' B' ' 245' ' ' TYR . 14.5 tp -56.95 -44.06 82.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.393 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.6 -40.53 98.75 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -41.47 98.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.667 ' O ' ' ND1' ' B' ' 308' ' ' HIS . 1.6 mtp180 -67.18 -40.74 86.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.342 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -35.11 70.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.299 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.0 tp -66.59 -42.33 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.358 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -66.36 -40.83 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 308' ' ' HIS . . . . . 0.667 ' ND1' ' O ' ' B' ' 304' ' ' ARG . 34.1 m170 -67.45 -25.56 65.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -5.5 42.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -133.71 83.07 2.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.548 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.664 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 38.0 ttt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.83 0.348 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.73 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 0.6 OUTLIER -179.1 160.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.561 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.958 HG22 ' O ' ' B' ' 184' ' ' GLU . 1.3 tt -111.52 147.01 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' B' ' 325' ' ' LEU . 22.9 tp -84.44 133.74 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.56 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 2.1 t -134.24 92.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -122.87 154.49 38.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.613 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 328' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 27.4 p-10 -61.93 -25.31 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.551 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.476 ' OE2' ' OG ' ' B' ' 331' ' ' SER . 2.8 pp20? -153.27 124.86 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.558 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.11 121.34 11.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 331' ' ' SER . . . . . 0.476 ' OG ' ' OE2' ' B' ' 329' ' ' GLU . 2.5 m -120.28 128.58 53.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.7 82.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 10.1 p -62.77 -37.2 85.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.503 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 98.4 m -59.95 -51.34 70.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.513 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.503 HD11 HD22 ' B' ' 343' ' ' LEU . 3.0 tp -61.52 -30.84 70.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.548 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 336' ' ' ALA . . . . . 0.713 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -70.21 7.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.524 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' B' ' 335' ' ' LEU . 3.5 mm-40 -105.67 -30.5 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.45 121.66 33.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.36 149.43 4.21 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.848 2.366 . . . . 0.0 112.178 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 340' ' ' GLN . . . . . 0.454 ' OE1' HD23 ' B' ' 343' ' ' LEU . 2.3 tp-100 -65.1 -21.5 66.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.541 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.1 -42.76 99.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.633 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.454 ' O ' ' HG2' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -76.7 -23.38 53.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.503 HD22 HD11 ' B' ' 335' ' ' LEU . 25.1 tp -73.53 113.69 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.541 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.537 ' O ' HG12 ' B' ' 344' ' ' VAL . 39.5 t -120.43 -0.65 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -178.52 166.25 36.0 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.484 ' HB ' HG23 ' B' ' 368' ' ' THR . 0.0 OUTLIER -146.8 142.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.339 . . . . 0.0 110.554 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 347' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' B' ' 386' ' ' VAL . 7.0 t -153.63 131.6 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 1.4 m -133.32 158.31 42.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.601 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 -89.99 -36.52 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' B' ' 351' ' ' GLY . 61.9 t0 -62.43 137.1 58.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.651 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.413 ' N ' ' OD1' ' B' ' 350' ' ' ASP . . . -89.23 50.32 3.61 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -109.5 110.59 21.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.718 0.294 . . . . 0.0 110.589 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -109.51 3.06 20.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -99.82 3.63 44.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.94 147.48 46.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -53.43 -38.85 63.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.548 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.22 86.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.02 -41.47 78.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.401 HD12 ' N ' ' B' ' 359' ' ' ILE . 1.6 mp -77.06 -26.69 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 2.7 ttm -67.12 -50.91 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.513 HG23 ' N ' ' B' ' 362' ' ' ARG . 28.2 m -63.39 -42.37 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.513 ' N ' HG23 ' B' ' 361' ' ' VAL . 4.9 ttm-85 -61.27 -46.24 91.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.68 66.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.541 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 364' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' B' ' 364' ' ' LEU . 7.1 mt -67.71 -28.24 67.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.53 17.44 39.1 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 366' ' ' ILE . . . . . 0.768 HG23 ' HD2' ' B' ' 367' ' ' PRO . 68.3 mt -98.89 145.45 29.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.943 0.401 . . . . 0.0 110.518 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 367' ' ' PRO . . . . . 0.768 ' HD2' HG23 ' B' ' 366' ' ' ILE . 49.5 Cg_endo -72.84 128.16 12.99 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.892 2.395 . . . . 0.0 112.026 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 368' ' ' THR . . . . . 0.518 ' H ' ' HB3' ' B' ' 177' ' ' ALA . 99.6 m -140.0 151.26 45.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.503 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.08 151.1 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.459 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 59.6 mtt -133.82 164.33 27.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 91.55 2.61 69.9 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -57.04 108.86 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.607 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.15 60.34 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 17.0 tt -148.59 138.07 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.579 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.57 ' N ' ' OE1' ' B' ' 375' ' ' GLN . 0.7 OUTLIER -66.11 135.12 95.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.576 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.93 -24.49 17.53 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.768 2.312 . . . . 0.0 112.07 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 59.7 p -66.53 -21.71 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 378' ' ' VAL . . . . . 0.483 HG12 ' O ' ' B' ' 378' ' ' VAL . 4.9 t -100.83 16.59 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.554 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.602 ' HA ' ' HB2' ' B' ' 382' ' ' ARG . 86.5 mt -121.64 2.25 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.682 ' O ' ' O ' ' B' ' 185' ' ' GLY . 48.2 t60 -36.44 -93.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.663 ' HD3' ' H ' ' B' ' 381' ' ' ARG . 0.0 OUTLIER -78.96 -13.83 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 382' ' ' ARG . . . . . 0.602 ' HB2' ' HA ' ' B' ' 379' ' ' LEU . 0.4 OUTLIER -52.86 140.91 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.608 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 39.3 m -69.96 130.21 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.588 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.3 122.9 48.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 385' ' ' ILE . . . . . 0.554 ' CD1' ' HD2' ' B' ' 397' ' ' PRO . 18.5 mt -124.55 105.11 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 386' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' B' ' 347' ' ' VAL . 6.1 m -108.85 155.91 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.539 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.4 t0 -145.29 93.71 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 388' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -58.19 -37.05 85.3 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 389' ' ' TYR . . . . . 0.437 ' HB2' ' OD1' ' B' ' 387' ' ' ASP . 12.2 m-85 -55.6 -48.15 75.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.512 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -95.01 -14.74 24.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.594 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 58.22 59.34 10.98 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.52 164.81 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 0.0 110.713 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 170' ' ' ARG . 21.2 tp -124.09 126.19 45.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.607 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.704 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 4.7 mt -116.16 159.64 21.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.643 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.671 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 28.9 m -132.43 117.59 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.575 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.569 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.0 OUTLIER 25.82 51.96 0.27 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.547 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.704 ' HG3' ' HB3' ' B' ' 394' ' ' LEU . 48.8 Cg_endo . . . . . 0 C--N 1.305 -1.747 0 C-N-CA 122.865 2.377 . . . . 0.0 112.138 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.7 p -83.15 159.32 22.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.431 ' O ' HD12 ' A' ' 76' ' ' LEU . 85.4 t -133.55 118.06 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.534 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -124.99 172.96 8.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.718 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -160.57 134.74 7.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 6' ' ' THR . 14.0 t -81.64 126.86 32.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.652 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 7' ' ' VAL . 16.9 m -128.24 125.7 64.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.589 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -82.31 126.5 32.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.59 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.19 HG22 ' O ' ' A' ' 61' ' ' ARG . 19.9 tt -89.28 104.61 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.767 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.2 p -81.75 53.9 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.527 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 65.24 23.93 12.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -163.65 99.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.986 ' HA ' ' CZ ' ' A' ' 83' ' ' PHE . 2.3 tt -62.38 -7.65 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.75 -42.47 1.02 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.8 tpp -170.55 -172.2 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.727 0.299 . . . . 0.0 110.572 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -50.81 -48.81 59.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' H ' ' H ' ' A' ' 18' ' ' ARG . . . -175.76 0.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.489 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.514 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 1.2 mpt_? -50.72 -56.88 15.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.516 ' O ' HD13 ' A' ' 23' ' ' LEU . 53.7 Cg_exo -47.15 -53.38 6.43 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.771 2.314 . . . . 0.0 112.165 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.49 96.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.541 ' SD ' HD12 ' B' ' 244' ' ' LEU . 0.6 OUTLIER -66.36 -42.48 87.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.443 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -62.95 -37.37 86.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.056 HD11 HG22 ' A' ' 79' ' ' VAL . 1.7 mp -49.39 -44.93 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.449 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE2' ' NE2' ' B' ' 247' ' ' HIS . 0.2 OUTLIER -57.01 -40.47 76.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -72.78 -35.19 67.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.49 -44.37 82.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.593 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -55.12 -31.67 61.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.428 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.593 ' N ' ' HG3' ' A' ' 27' ' ' MET . 24.9 mt-30 -81.97 -30.31 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.39 -30.24 31.01 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.91 152.76 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 110.554 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.764 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -95.49 94.84 8.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.602 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 167.84 156.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.601 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -101.52 129.32 47.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.441 ' O ' HD23 ' A' ' 35' ' ' LEU . 79.7 t -106.77 133.86 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.544 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 34' ' ' VAL . 63.4 mt -134.38 139.32 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.534 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 15.4 mt -109.45 149.48 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.584 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 1.073 ' O ' HG23 ' A' ' 63' ' ' ILE . 12.0 mtt-85 -145.84 136.79 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.654 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -94.28 154.61 17.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.24 -28.37 11.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.522 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -67.97 -11.31 58.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.69 11.25 59.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -84.02 117.4 23.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.758 0.313 . . . . 0.0 110.591 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.526 ' HG2' HH21 ' A' ' 37' ' ' ARG . 3.6 tm-20 -78.11 103.73 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.635 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.76 64.98 6.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 2.8 mt-10 -40.39 121.21 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -10.03 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.75 27.94 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.629 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -145.84 123.5 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.748 ' O ' HD13 ' A' ' 53' ' ' LEU . 4.1 t -63.72 -36.25 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.491 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 50' ' ' ILE . 4.1 tt -61.25 -35.98 69.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.508 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.635 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.56 -42.93 86.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.575 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.46 -38.51 77.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.748 HD13 ' O ' ' A' ' 49' ' ' VAL . 9.3 mp -65.04 -35.73 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -36.68 78.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.593 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -63.16 -35.13 79.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.547 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -53.1 -34.78 58.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.475 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.0 -5.89 50.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.067 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -83.76 29.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.581 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 9.8 pttt -69.66 97.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.86 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 105.6 6.02 38.66 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 1.19 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -107.08 163.99 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.729 0.3 . . . . 0.0 110.555 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -95.89 144.85 25.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.67 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.073 HG23 ' O ' ' A' ' 37' ' ' ARG . 2.4 mp -131.73 160.11 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.507 ' N ' HG22 ' A' ' 63' ' ' ILE . 99.9 mt-10 -122.75 100.64 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.436 HG13 ' CD2' ' A' ' 36' ' ' LEU . 35.9 t -81.5 128.13 38.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.489 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.638 ' CD ' HH11 ' A' ' 37' ' ' ARG . 30.5 tt0 -120.93 140.54 51.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.608 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.75 130.68 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.676 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 6.0 t -121.27 140.32 52.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.8 -177.66 18.91 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.764 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.5 Cg_endo -71.53 -37.82 5.11 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.812 2.341 . . . . 0.0 112.134 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 72' ' ' GLU . 6.1 mm100 -97.68 4.16 50.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 71' ' ' GLN . 20.6 pt-20 -36.85 -40.34 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.72 -50.47 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.554 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 71' ' ' GLN . 26.3 tp10 -57.78 -51.71 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.552 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.813 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.54 -49.62 72.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -64.79 -44.05 91.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.522 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.2 99.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.43 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.7 98.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.056 HG22 HD11 ' A' ' 23' ' ' LEU . 26.2 t -65.96 -43.34 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.47 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.6 mt -63.97 -42.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.22 -37.89 87.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.301 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.06 -35.02 66.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.378 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.986 ' CZ ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -71.94 -30.13 65.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.453 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 85' ' ' SER . 98.3 m-20 -85.83 -3.43 58.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.9 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.51 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 5.3 ptm85 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 81.1 mt -98.4 124.07 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -77.05 112.81 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -120.61 157.21 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' B' ' 174' ' ' LEU . 3.2 mm? -67.69 112.76 11.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -73.3 108.09 2.53 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.765 2.31 . . . . 0.0 112.202 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 176' ' ' ALA . . . . . 0.905 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -83.41 -51.26 7.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -125.11 136.63 28.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.454 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.19 144.24 41.45 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.834 2.356 . . . . 0.0 112.129 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 135.32 167.34 11.31 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 33.2 m -128.88 148.99 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.946 0.403 . . . . 0.0 110.493 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -156.58 153.24 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 25.2 pt -130.77 135.05 61.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.565 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.488 ' HB3' HG23 ' B' ' 324' ' ' ILE . . . 179.71 176.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 184' ' ' GLU . . . . . 0.585 ' O ' HG12 ' B' ' 324' ' ' ILE . 4.3 pt-20 -82.79 165.79 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.616 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.625 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.3 138.94 14.18 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -146.71 135.42 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.577 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 202' ' ' THR . . . . . 0.563 ' O ' ' OD2' ' B' ' 204' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.791 0.329 . . . . 0.0 110.515 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 0.752 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 1.2 pp -56.65 129.84 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 1.006 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 1.1 m-20 -155.84 67.71 4.83 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.423 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 39.0 Cg_endo -70.26 -46.62 0.96 Allowed 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.842 2.361 . . . . 0.0 112.21 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -60.34 -49.25 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 207' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 56.2 mt -79.28 -40.15 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.442 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 1.006 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 5.3 tp10 -67.86 -56.8 7.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 209' ' ' ARG . . . . . 0.556 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 53.3 ttt85 -45.37 -49.11 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 210' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' B' ' 210' ' ' GLU . 0.1 OUTLIER -70.91 -36.46 72.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.373 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.62 HH12 ' CD ' ' B' ' 269' ' ' GLU . 9.8 ttt-85 -57.48 -47.1 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.395 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.771 ' C ' HD13 ' B' ' 212' ' ' LEU . 3.5 tm? -67.98 -52.14 39.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.41 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 213' ' ' THR . . . . . 0.445 ' O ' ' OE1' ' B' ' 217' ' ' GLU . 85.8 m -55.68 -51.96 65.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.501 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -57.58 -37.76 84.34 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -70.35 -46.09 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 110.422 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.835 ' C ' HD12 ' B' ' 216' ' ' LEU . 0.2 OUTLIER -60.49 -48.04 83.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.396 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.797 ' N ' ' HG ' ' B' ' 216' ' ' LEU . 0.4 OUTLIER -60.72 -37.02 80.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.353 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.76 -33.45 72.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.463 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -87.74 -45.7 10.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -55.68 -51.56 66.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.504 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 87.7 m-20 -63.18 -35.54 80.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.455 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' B' ' 226' ' ' TYR . 1.1 tt0 -70.96 -35.89 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.604 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 223' ' ' PHE . . . . . 0.658 ' CD1' ' NH1' ' B' ' 304' ' ' ARG . 0.7 OUTLIER -76.08 -41.91 49.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.426 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 224' ' ' ARG . . . . . 0.458 HH21 ' HD2' ' B' ' 224' ' ' ARG . 4.5 ttm105 -52.13 -54.94 24.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.518 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 225' ' ' ARG . . . . . 0.43 ' NH1' ' HG3' ' B' ' 222' ' ' GLU . 1.6 ptt180 -68.17 -24.29 64.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.519 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' B' ' 222' ' ' GLU . 0.1 OUTLIER -66.61 -55.77 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.446 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 227' ' ' SER . . . . . 0.678 ' OG ' ' HB3' ' B' ' 242' ' ' PHE . 75.0 m -57.08 -50.21 73.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.446 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -51.08 -41.38 59.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -71.81 -34.67 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.437 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -68.86 -42.28 77.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.45 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 231' ' ' ALA . . . . . 0.656 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -58.73 -37.45 76.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.92 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -116.09 20.36 12.89 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -135.85 -136.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.877 0.37 . . . . 0.0 110.587 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.545 ' O ' ' OG1' ' B' ' 238' ' ' THR . 19.1 pm0 -129.22 169.5 14.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -26.19 68.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.94 -41.58 92.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.545 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 1.8 p -63.66 -59.37 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.639 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 239' ' ' ALA . . . . . 0.656 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -51.05 -45.55 61.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.91 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 6.8 mm -66.62 -59.76 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.678 ' HB3' ' OG ' ' B' ' 227' ' ' SER . 33.5 m-85 -58.26 -60.43 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' B' ' 242' ' ' PHE . 64.7 t0 -34.35 -41.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.538 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 0.95 HD23 ' C ' ' B' ' 244' ' ' LEU . 1.3 tt -69.94 -40.04 75.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.559 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.724 ' N ' HD23 ' B' ' 244' ' ' LEU . 0.9 OUTLIER -68.74 -43.29 76.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.469 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 73.1 m -49.47 -45.09 46.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.521 ' NE2' ' CE2' ' A' ' 24' ' ' PHE . 13.0 t60 -70.22 -22.21 62.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.596 ' C ' HD23 ' B' ' 248' ' ' LEU . 8.3 tt -69.55 -47.91 62.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.592 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.34 -44.19 84.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 88.1 p -75.2 -12.11 60.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.474 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' B' ' 253' ' ' ARG . 61.1 t0 -55.94 121.21 8.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.483 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 62.1 p -58.55 -2.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.752 ' HE ' ' N ' ' B' ' 254' ' ' LEU . 1.5 tmm_? -80.79 -47.23 14.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 254' ' ' LEU . . . . . 0.752 ' N ' ' HE ' ' B' ' 253' ' ' ARG . 12.0 tp -69.01 -37.29 78.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.441 HH12 ' NH2' ' B' ' 209' ' ' ARG . 3.3 ttp85 -68.07 -44.94 75.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.654 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.44 -47.69 78.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.792 ' OE2' ' CE1' ' B' ' 279' ' ' PHE . 3.4 tt0 -57.01 -52.06 66.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.767 ' C ' HD13 ' B' ' 258' ' ' LEU . 3.1 tm? -53.85 -58.25 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 259' ' ' PHE . . . . . 0.487 ' N ' HD13 ' B' ' 258' ' ' LEU . 63.0 t80 -53.87 -33.73 57.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 260' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -60.49 -41.0 93.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.629 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -43.41 92.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.06 -36.95 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.446 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.09 -12.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.489 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -99.36 -19.82 16.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 123.92 10.12 5.41 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 46.4 m -83.15 154.98 24.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.615 0.245 . . . . 0.0 110.632 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 267' ' ' VAL . . . . . 0.629 ' O ' ' CB ' ' B' ' 271' ' ' ALA . 3.1 t -97.92 148.14 6.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' B' ' 272' ' ' VAL . . . -54.1 -51.59 63.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.62 ' CD ' HH12 ' B' ' 211' ' ' ARG . 1.9 mm-40 -40.06 -67.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.664 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 270' ' ' TRP . . . . . 0.685 ' CZ2' ' OG1' ' B' ' 274' ' ' THR . 5.2 t-105 -73.82 -42.94 60.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.629 ' CB ' ' O ' ' B' ' 267' ' ' VAL . . . -54.28 -53.91 47.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.556 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' B' ' 268' ' ' ALA . 53.4 t -56.21 -33.7 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 0.0 OUTLIER -72.84 -30.53 64.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.506 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 274' ' ' THR . . . . . 0.685 ' OG1' ' CZ2' ' B' ' 270' ' ' TRP . 15.0 m -72.57 -57.32 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.818 HG13 ' H ' ' B' ' 276' ' ' ILE . 5.5 p -48.28 -60.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.601 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.818 ' H ' HG13 ' B' ' 275' ' ' VAL . 1.9 pp -53.79 -38.04 34.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' B' ' 281' ' ' GLU . 2.5 mm-40 -71.15 -36.6 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.499 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 278' ' ' LYS . . . . . 0.408 ' HB3' ' NZ ' ' B' ' 278' ' ' LYS . 3.2 mtmp? -66.34 -38.35 87.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 279' ' ' PHE . . . . . 0.792 ' CE1' ' OE2' ' B' ' 257' ' ' GLU . 20.7 m-85 -74.17 -27.87 61.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.574 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.76 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.519 ' OE2' ' O ' ' B' ' 277' ' ' GLU . 0.4 OUTLIER -77.93 -39.47 42.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.17 -47.36 86.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.446 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 5.9 m-30 -60.82 -49.12 78.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.627 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 284' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -57.87 -49.38 76.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.562 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 285' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -29.4 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.704 ' N ' HD12 ' B' ' 286' ' ' LEU . 6.1 mp -64.92 165.16 11.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 71.8 p -95.8 -37.29 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.577 ' HB3' ' CD2' ' B' ' 291' ' ' LEU . 0.9 OUTLIER -48.28 134.72 14.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.533 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -84.31 -31.25 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.588 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.77 -32.86 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.616 HD12 ' N ' ' B' ' 292' ' ' LYS . 3.2 pp -94.37 -47.63 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.519 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.616 ' N ' HD12 ' B' ' 291' ' ' LEU . 0.5 OUTLIER -40.72 -41.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -71.17 -40.83 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.446 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.63 HH11 ' CD2' ' B' ' 244' ' ' LEU . 37.9 tpt85 -51.57 -31.05 23.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.508 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -52.62 -44.16 65.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.47 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -45.71 -43.13 11.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.52 -37.73 87.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.401 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 10.8 tp -56.95 -56.88 15.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -55.05 -44.49 74.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.37 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.403 ' HB1' HG21 ' B' ' 333' ' ' THR . . . -59.97 -37.3 79.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.323 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.724 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.2 OUTLIER -58.63 -39.42 80.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.279 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 302' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -61.57 -43.12 99.71 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 303' ' ' GLN . . . . . 0.498 ' NE2' ' CD1' ' B' ' 307' ' ' PHE . 10.6 tm0? -60.81 -37.39 81.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 110.294 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.658 ' NH1' ' CD1' ' B' ' 223' ' ' PHE . 0.9 OUTLIER -72.68 -39.18 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.268 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 305' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' B' ' 309' ' ' LEU . 0.7 OUTLIER -68.17 -43.29 78.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.309 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.22 -39.34 94.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.361 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 307' ' ' PHE . . . . . 0.498 ' CD1' ' NE2' ' B' ' 303' ' ' GLN . 3.0 m-85 -63.59 -47.32 81.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.449 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -75.23 -16.75 60.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 0.4 OUTLIER -72.8 -18.21 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 310' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 310' ' ' ASP . 1.1 m-20 -103.37 127.36 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' B' ' 310' ' ' ASP . 6.9 m-20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.462 HH21 ' HD2' ' B' ' 322' ' ' ARG . 7.9 mtm105 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.754 0.312 . . . . 0.0 110.659 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' B' ' 324' ' ' ILE . 0.2 OUTLIER -179.93 159.14 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.77 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.585 HG12 ' O ' ' B' ' 184' ' ' GLU . 5.0 pt -126.52 148.31 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.423 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.403 HD23 ' N ' ' B' ' 326' ' ' VAL . 0.8 OUTLIER -93.33 135.48 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.747 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.567 HG13 ' O ' ' B' ' 326' ' ' VAL . 4.0 p -131.0 90.36 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.533 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -121.24 157.2 30.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.562 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 328' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' B' ' 351' ' ' GLY . 7.2 m-20 -64.47 -34.71 78.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -142.53 119.73 11.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.562 ' HG ' ' HB1' ' B' ' 357' ' ' ALA . 21.6 tp -71.88 116.16 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 85.9 p -114.05 133.12 55.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.512 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.65 -37.5 63.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.586 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.403 HG21 ' HB1' ' B' ' 300' ' ' ALA . 96.1 m -56.78 -46.73 81.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 97.6 m -57.27 -50.27 73.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.627 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.2 OUTLIER -54.05 -45.58 71.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.506 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -66.1 9.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' B' ' 335' ' ' LEU . 21.2 tt0 -110.32 -32.98 6.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 1.2 pp -112.74 133.74 21.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.91 135.72 43.49 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.821 2.347 . . . . 0.0 112.065 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 340' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' B' ' 340' ' ' GLN . 32.1 tp60 -73.85 -10.99 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -71.56 -39.65 70.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.523 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -82.84 -11.13 58.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.432 HD23 ' OE1' ' B' ' 340' ' ' GLN . 41.3 tp -83.11 102.78 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -119.06 24.75 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 345' ' ' GLY . . . . . 0.468 ' HA3' HG22 ' B' ' 324' ' ' ILE . . . 165.42 153.29 7.52 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.04 149.33 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 0.0 110.501 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 87.3 t -137.07 124.94 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 348' ' ' VAL . . . . . . . . . . . . . 3.6 t -115.56 148.61 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 349' ' ' ARG . . . . . 0.788 HH11 ' N ' ' B' ' 374' ' ' ILE . 15.3 ttm180 -115.92 -47.38 2.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.563 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.475 ' O ' ' OD1' ' B' ' 350' ' ' ASP . 59.6 t0 -107.91 -33.66 7.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' B' ' 328' ' ' ASP . . . -39.05 146.61 0.17 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -97.59 156.32 16.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 110.651 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.88 -37.5 76.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 354' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' B' ' 355' ' ' SER . 48.1 p-10 -67.67 -13.67 62.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 355' ' ' SER . . . . . 0.445 ' N ' ' OD1' ' B' ' 354' ' ' ASN . 52.9 m -54.45 134.96 46.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 356' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 19.5 pt20 -55.49 -40.31 71.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.588 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 357' ' ' ALA . . . . . 0.562 ' HB1' ' HG ' ' B' ' 330' ' ' LEU . . . -59.85 -48.74 80.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -58.81 -40.28 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.625 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 11.0 mm -71.53 -33.15 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.547 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -62.11 -51.15 69.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.489 HG23 ' N ' ' B' ' 362' ' ' ARG . 25.5 m -66.41 -43.58 91.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.501 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.489 ' N ' HG23 ' B' ' 361' ' ' VAL . 14.6 ttp180 -60.26 -44.52 95.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.27 -22.19 62.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.23 -24.9 60.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 365' ' ' GLY . . . . . 0.404 ' C ' HD12 ' B' ' 366' ' ' ILE . . . 95.6 26.47 11.86 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 366' ' ' ILE . . . . . 0.404 HD12 ' C ' ' B' ' 365' ' ' GLY . 1.5 mp -109.97 128.99 24.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.614 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.85 128.88 16.83 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.855 2.37 . . . . 0.0 112.102 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 47.0 m -143.61 138.62 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 28.7 m -136.74 148.42 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.905 ' SD ' ' HB2' ' B' ' 176' ' ' ALA . 0.1 OUTLIER -129.13 163.61 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.93 -4.33 59.07 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -53.36 111.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.55 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 373' ' ' ASP . . . . . 0.605 ' C ' HH11 ' B' ' 349' ' ' ARG . 6.2 p30 -110.81 62.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.824 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 3.9 tp -137.58 135.48 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -64.77 101.98 0.3 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 376' ' ' PRO . . . . . 0.824 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 52.6 Cg_exo -50.27 -24.01 10.91 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.746 2.297 . . . . 0.0 112.136 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 49.1 m -58.75 -39.89 82.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.78 -32.31 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.856 ' N ' HD22 ' B' ' 379' ' ' LEU . 1.3 mm? -84.18 -47.98 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.642 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.625 ' O ' ' O ' ' B' ' 185' ' ' GLY . 61.3 t-80 52.93 -69.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.589 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.729 ' N ' ' O ' ' B' ' 379' ' ' LEU . 8.8 mtm105 -146.56 25.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.582 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -72.72 174.26 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 383' ' ' THR . . . . . 0.732 ' O ' HD12 ' B' ' 384' ' ' LEU . 60.2 m -79.35 122.24 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.732 HD12 ' O ' ' B' ' 383' ' ' THR . 3.4 mp -131.11 117.32 18.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.618 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 385' ' ' ILE . . . . . 0.769 HG23 ' HB2' ' B' ' 394' ' ' LEU . 0.7 OUTLIER -108.15 122.85 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.576 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 17.2 m -102.27 153.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.558 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.641 ' O ' ' N ' ' B' ' 391' ' ' GLY . 38.5 t0 -136.08 79.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.572 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.7 -44.98 30.73 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -45.61 -53.31 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.506 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.14 8.02 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.604 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.641 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 45.71 53.49 8.51 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -118.3 153.54 33.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.431 HD23 ' N ' ' B' ' 394' ' ' LEU . 1.3 tt -130.67 118.0 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.769 ' HB2' HG23 ' B' ' 385' ' ' ILE . 2.0 mm? -102.07 143.46 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.615 ' O ' ' C ' ' B' ' 396' ' ' ASP . 28.3 m -119.38 115.52 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.559 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.615 ' C ' ' O ' ' B' ' 395' ' ' VAL . 20.5 p-10 20.39 56.9 0.22 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.589 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 55.6 Cg_endo . . . . . 0 C--N 1.304 -1.799 0 C-N-CA 122.79 2.327 . . . . 0.0 112.162 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.42 ' H ' HG22 ' A' ' 2' ' ' THR . 1.8 t -84.94 159.01 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -133.14 119.68 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -126.84 172.85 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.555 ' CD ' HD11 ' A' ' 80' ' ' ILE . 3.9 tm0? -161.88 133.98 5.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.45 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 91.6 m -80.04 127.76 32.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.5 HG13 HG13 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -128.71 124.35 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.461 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -80.71 126.4 31.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.5 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.438 HD11 HD13 ' A' ' 63' ' ' ILE . 75.7 mt -89.64 105.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.696 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.6 OUTLIER -84.4 61.08 6.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 m120 59.86 25.21 14.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.645 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.58 102.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.5 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 0.4 OUTLIER -66.32 -4.59 8.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.587 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 15' ' ' MET . . . 147.75 124.32 1.46 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.803 ' O ' ' N ' ' A' ' 17' ' ' ALA . 6.7 mtt -29.8 149.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -52.39 63.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.803 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -110.11 -3.62 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.79 ' N ' ' HD3' ' A' ' 19' ' ' PRO . 3.1 mtp180 78.82 36.47 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.517 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.79 ' HD3' ' N ' ' A' ' 18' ' ' ARG . 60.1 Cg_exo -46.8 -55.69 3.63 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.822 2.348 . . . . 0.0 112.025 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.536 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -57.31 -47.45 81.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.522 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.4 -42.72 95.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.28 -38.27 86.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.518 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.9 -46.78 52.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.389 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -55.68 -40.25 72.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -71.96 -36.47 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' A' ' 30' ' ' PHE . 92.1 mt -66.51 -42.14 87.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 38.4 ttm -55.54 -31.11 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.484 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -33.19 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.63 -33.56 34.05 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' A' ' 26' ' ' LEU . 22.6 m-85 -103.53 155.67 18.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.611 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -99.62 92.68 5.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 170.88 157.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -102.3 126.76 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.13 134.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mp -135.84 139.25 43.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.505 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 6.0 mt -109.08 149.72 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.581 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -148.08 133.4 18.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.524 ' HA ' HG22 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -89.97 157.87 17.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' OD2' ' NE2' ' A' ' 62' ' ' GLN . 54.7 t0 -53.86 -28.5 36.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 47.9 mt-10 -66.95 -11.14 55.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.64 11.28 59.46 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 p -83.99 116.74 22.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.903 0.382 . . . . 0.0 110.486 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.77 102.61 7.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.646 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -88.97 66.43 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.564 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -41.45 121.55 1.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.528 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -10.21 12.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -100.22 29.23 4.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.74 122.9 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.35 -35.74 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.583 HD12 ' CE2' ' B' ' 283' ' ' PHE . 2.7 tt -61.64 -36.76 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.605 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.646 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.39 -42.07 88.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.713 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.536 HD22 ' HB1' ' A' ' 20' ' ' ALA . 95.7 mt -58.79 -37.85 77.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.673 HD13 HD12 ' B' ' 291' ' ' LEU . 87.3 mt -65.6 -36.54 84.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.61 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.4 mtm -67.61 -37.27 82.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.1 tt -62.04 -36.06 80.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -52.69 -35.49 55.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.7 p -75.99 -6.56 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.47 29.67 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 97.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.62 5.8 38.83 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.543 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 85.4 mtt180 -106.21 165.78 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.718 0.294 . . . . 0.0 110.58 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.562 ' NE2' ' OD2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -99.07 143.05 29.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.547 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 38' ' ' ASN . 42.3 pt -130.94 161.89 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.559 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mp0 -123.5 101.52 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.74 127.57 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.505 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -119.68 138.18 53.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.88 130.38 29.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.485 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.464 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 2.6 t -124.0 129.09 50.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.33 162.59 9.29 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -48.02 -44.88 26.77 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.798 2.332 . . . . 0.0 112.141 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLU . 1.1 mm100 -93.85 6.24 49.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.543 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 13.9 pt-20 -37.7 -37.79 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.531 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 3.2 pt-20 -64.26 -48.86 74.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.597 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.531 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 14.5 mm-40 -57.7 -51.09 70.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.41 -48.99 75.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.634 ' C ' HD23 ' A' ' 76' ' ' LEU . 9.7 tt -64.44 -45.0 89.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.66 99.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.454 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.62 98.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.36 -44.07 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.555 HD11 ' CD ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -63.29 -41.84 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.462 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.5 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.28 -36.55 84.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.426 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.71 -37.48 67.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.435 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 13' ' ' LEU . 4.1 m-85 -70.0 -31.91 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.698 ' O ' ' HB2' ' A' ' 85' ' ' SER . 3.1 m-80 -82.31 -4.03 56.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.698 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 26.7 m . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 170' ' ' ARG . . . . . 0.831 ' C ' HD12 ' B' ' 171' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 171' ' ' ILE . . . . . 0.831 HD12 ' C ' ' B' ' 170' ' ' ARG . 2.0 mp -131.94 140.95 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.563 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -91.56 108.6 20.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -103.4 158.42 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.512 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.593 ' N ' ' O ' ' B' ' 370' ' ' MET . 49.0 mt -68.49 117.65 52.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.38 104.11 1.74 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.648 2.232 . . . . 0.0 112.217 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 176' ' ' ALA . . . . . 0.501 ' O ' ' NH2' ' B' ' 362' ' ' ARG . . . -82.14 -39.81 22.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.599 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 177' ' ' ALA . . . . . 0.573 ' O ' ' HA3' ' B' ' 388' ' ' GLY . . . -134.67 132.72 20.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.45 138.54 32.83 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.841 2.361 . . . . 0.0 112.106 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 179' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 139.06 168.92 11.41 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 76.5 t -121.52 137.53 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.509 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -141.67 142.17 33.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 7.6 tt -126.54 128.75 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.735 ' HB3' HG23 ' B' ' 324' ' ' ILE . . . 179.79 170.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.601 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 184' ' ' GLU . . . . . 0.644 ' O ' HG12 ' B' ' 324' ' ' ILE . 92.1 mt-10 -78.16 169.65 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.482 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.775 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -90.31 97.72 2.36 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -105.5 122.15 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.818 0.342 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 0.591 HD12 ' H ' ' B' ' 204' ' ' ASP . 11.0 tp -68.24 129.12 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.591 ' H ' HD12 ' B' ' 203' ' ' LEU . 73.9 m-20 -152.55 93.6 3.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.583 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.511 ' O ' ' NE ' ' B' ' 209' ' ' ARG . 39.1 Cg_endo -70.32 -20.5 32.12 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.803 2.336 . . . . 0.0 112.111 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 206' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -79.57 -41.76 26.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 207' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 211' ' ' ARG . 35.8 mt -85.93 -36.36 19.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.663 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 0.0 OUTLIER -65.43 -52.79 50.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.541 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 209' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' B' ' 205' ' ' PRO . 6.9 ptp180 -60.36 -41.19 93.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.477 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 210' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' B' ' 206' ' ' ALA . 3.4 mm-40 -75.62 -34.03 60.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.642 ' NH2' ' OE2' ' B' ' 269' ' ' GLU . 11.2 mtt180 -56.53 -52.62 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.568 ' HB3' ' NH2' ' B' ' 255' ' ' ARG . 0.2 OUTLIER -71.33 -53.79 12.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.331 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 213' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' B' ' 255' ' ' ARG . 81.9 m -50.45 -53.0 32.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.26 -34.37 84.29 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.25 67.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.799 0.333 . . . . 0.0 110.398 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.744 ' O ' ' N ' ' B' ' 220' ' ' ALA . 2.1 tp -54.86 -50.17 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.447 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 71.9 mm-40 -49.76 -37.0 27.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.331 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -80.88 -32.01 35.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.73 -51.99 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.339 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.744 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.84 -51.54 67.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.396 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.6 ' O ' ' NE ' ' B' ' 225' ' ' ARG . 90.3 m-20 -64.32 -33.79 76.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.321 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.693 ' N ' HH11 ' B' ' 225' ' ' ARG . 3.6 tm-20 -70.74 -39.5 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.416 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 223' ' ' PHE . . . . . 0.437 ' CZ ' ' CD2' ' B' ' 301' ' ' LEU . 2.9 m-85 -64.65 -47.83 77.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.454 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 224' ' ' ARG . . . . . 0.42 ' HD2' HH21 ' B' ' 224' ' ' ARG . 14.3 mtm180 -60.96 -40.82 94.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 225' ' ' ARG . . . . . 0.693 HH11 ' N ' ' B' ' 222' ' ' GLU . 81.4 mtm180 -68.53 -30.99 69.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.436 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.7 ' OH ' ' O ' ' B' ' 336' ' ' ALA . 0.3 OUTLIER -63.44 -55.89 20.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 9.2 p -49.99 -44.38 50.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -60.87 -39.75 90.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 229' ' ' ARG . . . . . 0.464 ' NH1' ' CE1' ' B' ' 226' ' ' TYR . 31.5 ttp-105 -69.67 -39.6 76.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.63 -43.12 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.508 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.65 -36.48 67.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.07 71.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.526 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -93.27 26.76 13.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . 51.51 77.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.498 ' HB3' ' OG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -143.15 92.63 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 236' ' ' LYS . . . . . 0.453 ' H ' ' HD2' ' B' ' 236' ' ' LYS . 1.0 OUTLIER -70.98 -42.32 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.587 ' OE1' ' N ' ' B' ' 238' ' ' THR . 16.3 tm-20 -50.58 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.587 ' N ' ' OE1' ' B' ' 237' ' ' GLU . 3.0 p -46.85 -59.09 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -48.63 -50.53 32.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.48 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.32 88.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.583 HG22 ' N ' ' B' ' 242' ' ' PHE . 1.3 mp -68.07 -54.91 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.583 ' N ' HG22 ' B' ' 241' ' ' ILE . 11.3 m-85 -58.66 -53.86 53.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.572 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -43.5 -41.99 4.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.433 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.91 -38.76 79.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.483 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.544 ' OH ' ' HB2' ' B' ' 297' ' ' ASP . 10.6 m-85 -70.73 -42.27 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.18 -46.68 35.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.569 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.464 ' O ' ' ND1' ' B' ' 247' ' ' HIS . 0.0 OUTLIER -73.41 -26.55 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.829 HD23 ' N ' ' B' ' 249' ' ' LEU . 0.6 OUTLIER -69.99 -40.18 75.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.842 HD11 HD11 ' B' ' 301' ' ' LEU . 2.8 mt -72.13 -38.02 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 60.2 p -76.09 -17.8 59.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.721 ' OD1' ' N ' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -44.53 116.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 13.6 t -57.24 0.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.476 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.721 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 7.2 ttt180 -86.58 -40.84 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 254' ' ' LEU . . . . . 0.701 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 4.7 mp -77.46 -38.03 50.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.568 ' NH2' ' HB3' ' B' ' 212' ' ' LEU . 14.3 tpt180 -63.09 -50.94 68.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -60.34 -46.57 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 0.6 OUTLIER -51.35 -50.76 58.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.497 HD22 HD23 ' B' ' 212' ' ' LEU . 0.1 OUTLIER -54.44 -63.55 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.638 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 259' ' ' PHE . . . . . 0.523 ' O ' HG22 ' B' ' 262' ' ' VAL . 3.2 t80 -53.65 -25.61 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 260' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -72.72 -40.17 66.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.37 -49.43 77.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 262' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 259' ' ' PHE . 2.8 m -65.29 -34.4 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.597 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.29 -15.98 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -92.77 -17.13 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.36 20.38 2.44 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 266' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' B' ' 262' ' ' VAL . 6.2 m -103.57 157.08 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.548 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 8.2 t -91.1 141.68 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.448 ' O ' HG12 ' B' ' 272' ' ' VAL . . . -54.57 -36.64 64.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.642 ' OE2' ' NH2' ' B' ' 211' ' ' ARG . 1.1 mp0 -54.47 -47.26 73.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -83.58 -31.8 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.619 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.787 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -59.83 -49.4 77.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.639 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.448 HG12 ' O ' ' B' ' 268' ' ' ALA . 13.6 p -65.44 -31.21 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.755 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 38.1 ttpt -80.25 -44.88 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.1 m -64.39 -51.66 62.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.863 HG23 ' N ' ' B' ' 276' ' ' ILE . 21.4 m -58.24 -63.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.511 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.863 ' N ' HG23 ' B' ' 275' ' ' VAL . 7.2 tp -47.91 -41.42 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.622 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.755 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 0.4 OUTLIER -74.1 -40.59 62.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.528 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -63.01 -35.13 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.591 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 279' ' ' PHE . . . . . 0.498 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 35.9 m-85 -82.92 -12.58 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -76.79 -44.81 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.629 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.476 ' CD ' ' O ' ' B' ' 277' ' ' GLU . 3.2 pm0 -85.72 -28.87 24.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -53.52 -51.47 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.499 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.611 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 0.7 OUTLIER -77.83 -42.99 31.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.603 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -41.25 -33.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -51.61 -17.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 286' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.7 172.82 9.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 89.4 p -108.61 -24.16 11.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -43.73 115.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -54.92 -53.07 60.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.26 -28.31 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.413 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.673 HD12 HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -74.72 -56.62 4.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.499 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 291' ' ' LEU . 8.6 mmtp -38.54 -47.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.395 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.11 -46.21 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.316 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.423 ' HD2' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -60.48 -39.33 87.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.218 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 295' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' B' ' 298' ' ' LEU . . . -58.46 -46.98 85.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.269 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -53.2 -40.19 59.46 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.544 ' HB2' ' OH ' ' B' ' 245' ' ' TYR . 0.2 OUTLIER -65.39 -38.11 89.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.242 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 298' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 295' ' ' ALA . 4.2 mt -54.0 -50.96 65.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.315 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 299' ' ' ARG . . . . . 0.757 ' HG3' ' N ' ' B' ' 300' ' ' ALA . 0.1 OUTLIER -54.4 -37.34 64.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.225 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.757 ' N ' ' HG3' ' B' ' 299' ' ' ARG . . . -67.9 -38.6 83.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.207 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.842 HD11 HD11 ' B' ' 249' ' ' LEU . 1.8 tm? -50.47 -42.93 55.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.267 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -64.71 -40.2 97.26 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -43.99 89.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.366 . . . . 0.0 110.248 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.464 HH21 ' HD2' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -71.64 -36.66 70.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.235 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 305' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' B' ' 305' ' ' LEU . 0.1 OUTLIER -69.27 -39.44 78.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 179.748 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 306' ' ' LEU . . . . . 0.613 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.5 OUTLIER -56.94 -40.32 76.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.383 179.738 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -41.61 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -66.39 -33.13 75.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.451 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' B' ' 309' ' ' LEU . 8.2 tp -61.59 -9.12 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.499 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 310' ' ' ASP . . . . . 0.613 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 6.4 m-20 -107.12 115.19 29.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.579 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.893 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 84.2 mtt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.74 0.305 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.893 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 27.9 m-85 -174.81 167.18 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.735 HG23 ' HB3' ' B' ' 183' ' ' ALA . 7.3 pt -101.39 147.11 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.577 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.468 HD12 HD11 ' B' ' 343' ' ' LEU . 0.4 OUTLIER -81.97 110.72 17.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.2 97.99 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -134.52 149.13 50.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.484 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.83 -27.97 68.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -151.49 123.33 8.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.591 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.606 HD11 HG11 ' B' ' 346' ' ' VAL . 2.4 mt -57.93 131.59 50.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.619 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 4.1 m -130.78 123.59 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.568 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.03 -39.53 66.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.674 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.66 HG21 ' HB1' ' B' ' 300' ' ' ALA . 61.9 m -58.65 -43.31 89.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 60.7 m -60.7 -50.27 74.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 5.2 mp -49.73 -43.64 47.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 336' ' ' ALA . . . . . 0.7 ' O ' ' OH ' ' B' ' 226' ' ' TYR . . . -64.11 -24.82 67.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.75 -35.92 79.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 7.3 mp -115.76 126.12 28.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -48.19 143.67 14.13 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.839 2.359 . . . . 0.0 112.112 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -67.39 -7.5 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.493 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.21 -38.84 42.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.657 ' HE ' ' HA ' ' B' ' 342' ' ' ARG . 9.2 mmp_? -78.72 -24.82 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.468 HD11 HD12 ' B' ' 325' ' ' LEU . 2.0 mm? -69.16 113.32 6.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.51 ' O ' HG12 ' B' ' 344' ' ' VAL . 6.1 t -122.72 19.61 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.582 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 345' ' ' GLY . . . . . 0.577 ' HA3' HG22 ' B' ' 324' ' ' ILE . . . 159.61 163.95 14.12 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.606 HG11 HD11 ' B' ' 330' ' ' LEU . 48.9 t -148.05 151.23 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.509 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 347' ' ' VAL . . . . . 0.474 HG22 ' O ' ' B' ' 347' ' ' VAL . 0.2 OUTLIER -146.29 125.52 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.54 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.49 HG11 ' O ' ' B' ' 351' ' ' GLY . 89.2 t -109.18 148.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -86.18 -54.85 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.654 ' O ' ' N ' ' B' ' 352' ' ' ALA . 0.0 OUTLIER -135.99 -19.03 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . -53.54 74.34 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 352' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -34.36 157.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.51 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 353' ' ' ALA . . . . . 0.806 ' HB1' HH12 ' B' ' 362' ' ' ARG . . . -61.93 -6.12 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -54.02 -33.57 57.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.57 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 51.9 m -51.46 141.25 16.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -58.91 -37.72 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.624 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.87 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.54 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.533 HD13 HH11 ' B' ' 362' ' ' ARG . 38.4 mm -64.86 -31.68 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.65 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 37.8 tpp -86.39 -25.03 25.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.622 ' CG1' ' N ' ' B' ' 362' ' ' ARG . 0.4 OUTLIER -65.85 -48.38 82.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.501 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.806 HH12 ' HB1' ' B' ' 353' ' ' ALA . 3.7 ptp180 -68.51 -36.32 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.527 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.432 ' N ' ' CG ' ' B' ' 362' ' ' ARG . . . -68.45 -24.13 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 5.4 tp -79.72 -21.57 44.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.53 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 91.7 37.98 5.96 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 3.4 mm -118.81 117.39 33.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 110.567 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -47.93 135.01 23.58 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.817 2.345 . . . . 0.0 112.13 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 87.3 m -154.51 145.87 23.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.565 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 369' ' ' VAL . . . . . 0.445 ' C ' ' SD ' ' B' ' 370' ' ' MET . 27.4 m -135.15 154.57 36.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.593 ' O ' ' N ' ' B' ' 174' ' ' LEU . 1.2 mmm -132.53 163.87 27.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.672 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 95.21 -2.64 65.84 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.7 112.79 0.9 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.775 0.321 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.04 31.7 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.536 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 5.8 tt -109.56 143.95 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.631 ' H ' ' CD ' ' B' ' 375' ' ' GLN . 20.1 mp0 -71.39 109.8 6.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.602 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 376' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 50.1 Cg_exo -48.74 -35.01 29.24 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.78 2.32 . . . . 0.0 112.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 60.6 m -53.08 -39.22 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 86.7 t -69.11 -36.87 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.778 HD13 HD22 ' B' ' 384' ' ' LEU . 55.9 mt -71.06 -27.2 63.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.775 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER -0.8 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.562 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.451 ' H ' ' HB3' ' B' ' 380' ' ' HIS . 2.7 ptp180 -93.07 -2.13 55.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 382' ' ' ARG . . . . . 0.82 HH22 ' CG ' ' B' ' 396' ' ' ASP . 1.3 ttp85 -63.95 159.03 20.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 383' ' ' THR . . . . . 0.551 ' O ' ' NH1' ' B' ' 382' ' ' ARG . 1.2 p -86.17 131.38 34.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.778 HD22 HD13 ' B' ' 379' ' ' LEU . 27.2 tp -140.62 117.85 11.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.506 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 63.9 mt -101.06 120.13 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 5.9 m -109.57 135.45 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.618 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.2 t0 -121.33 95.44 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 388' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -53.24 -40.16 59.71 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -48.65 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.831 0.348 . . . . 0.0 110.523 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 390' ' ' ARG . . . . . 0.405 ' CZ ' ' OD2' ' B' ' 387' ' ' ASP . 91.1 mtm-85 -90.99 -7.54 51.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 47.94 62.21 4.33 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -152.4 167.38 28.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.34 125.46 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 2.5 mp -98.86 144.87 27.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.526 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.679 ' O ' ' C ' ' B' ' 396' ' ' ASP . 85.6 t -112.55 101.76 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.82 ' CG ' HH22 ' B' ' 382' ' ' ARG . 10.4 p-10 -7.75 77.54 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.657 ' N ' ' O ' ' B' ' 395' ' ' VAL . 47.4 Cg_endo . . . . . 0 C--N 1.306 -1.68 0 C-N-CA 122.787 2.325 . . . . 0.0 112.085 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.423 ' H ' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER -83.73 160.1 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.9 t -134.18 119.77 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -126.6 173.55 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.951 ' NE2' HD12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -160.82 136.58 8.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.502 HG23 ' OE1' ' A' ' 62' ' ' GLN . 85.7 m -83.92 124.09 30.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.667 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.3 t -125.01 126.71 71.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.46 124.72 30.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.0 mt -87.51 106.01 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 40.6 p -83.83 55.65 3.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' THR . 71.3 m-80 66.01 19.16 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.487 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.464 ' HZ2' ' HA ' ' A' ' 15' ' ' MET . 2.2 tptp -160.37 102.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.583 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.668 HD23 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -67.45 0.96 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.56 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.632 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 116.53 32.19 1.66 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.69 ' SD ' ' HD2' ' A' ' 18' ' ' ARG . 16.9 ttt 91.93 1.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.602 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 1.088 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 11.2 p80 40.11 -179.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 21' ' ' MET . . . 52.03 -74.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.69 ' HD2' ' SD ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -49.65 -56.76 14.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.558 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 1.088 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 29.7 Cg_endo -66.3 -45.32 5.54 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.72 2.28 . . . . 0.0 112.076 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.594 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -68.82 -37.8 79.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.59 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' ALA . 2.0 tmt? -74.58 -39.45 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.596 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 19.4 mmtp -62.16 -36.5 82.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.564 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD13 HG23 ' A' ' 79' ' ' VAL . 13.5 tp -50.61 -45.0 57.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.647 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.585 ' N ' ' CD2' ' A' ' 24' ' ' PHE . 1.8 m-30 -57.95 -37.08 73.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -76.49 -32.6 58.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.813 HD12 ' CE1' ' A' ' 30' ' ' PHE . 3.4 mm? -69.49 -41.44 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.528 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.3 mtp -56.93 -33.16 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 24' ' ' PHE . 7.2 mm100 -78.59 -36.35 44.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.9 -29.74 50.36 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.813 ' CE1' HD12 ' A' ' 26' ' ' LEU . 16.6 m-85 -107.67 150.45 26.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.549 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 70.4 m-20 -95.15 97.26 9.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.549 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 164.94 154.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.552 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -99.38 130.63 45.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.585 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.3 t -107.97 134.34 50.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.439 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.31 137.81 41.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.2 mp -108.24 150.87 26.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.397 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.552 ' NE ' ' OE2' ' A' ' 43' ' ' GLU . 11.5 mtp180 -146.35 135.41 22.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -92.09 153.62 19.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -50.79 -28.59 9.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -67.77 -10.9 56.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.47 11.75 59.16 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.9 m -84.29 117.24 23.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.655 0.264 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.552 ' OE2' ' NE ' ' A' ' 37' ' ' ARG . 55.1 mm-40 -78.21 103.29 8.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.494 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.645 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.47 65.25 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -41.03 121.63 1.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.538 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.599 ' HB1' HD23 ' A' ' 23' ' ' LEU . . . -63.3 -9.33 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -99.91 27.4 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -146.05 123.86 11.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.605 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.3 m -63.89 -35.49 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.004 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -61.78 -35.88 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.58 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.645 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.53 -42.03 87.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.471 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.84 -39.5 81.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.569 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.004 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 1.8 pp -64.46 -35.94 82.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.722 ' N ' HD12 ' A' ' 53' ' ' LEU . 1.1 tmm? -68.52 -35.96 78.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 9.4 mt -64.52 -35.24 80.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.574 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -52.81 -34.68 54.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 t -76.91 -6.5 52.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.93 28.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.603 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -68.43 97.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.487 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.08 6.22 39.84 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.73 164.32 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.502 ' OE1' HG23 ' A' ' 6' ' ' THR . 1.2 tm0? -97.25 143.42 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.657 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.895 HD13 ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -131.13 160.84 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.494 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.617 ' N ' HG12 ' A' ' 63' ' ' ILE . 57.4 mp0 -122.89 101.01 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.854 HG23 HD11 ' A' ' 63' ' ' ILE . 21.7 t -80.93 127.9 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.49 139.04 53.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.71 130.57 30.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.63 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.463 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 63.7 m -123.67 128.84 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.532 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.546 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.51 161.0 8.58 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -46.54 -45.54 19.26 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.864 2.376 . . . . 0.0 112.156 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.58 ' NE2' ' HB2' ' A' ' 31' ' ' ASP . 5.2 mt-30 -93.07 4.89 53.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.448 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.546 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 9.5 pt-20 -35.79 -38.47 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 81.3 mt-10 -63.81 -48.37 77.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.8 mp0 -58.1 -50.19 74.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.35 -48.06 79.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.835 HD21 ' NE2' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -65.62 -43.86 88.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.536 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 80' ' ' ILE . . . -62.55 -42.31 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.19 99.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.533 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.647 HG11 HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -66.91 -41.89 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.951 HD12 ' NE2' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -65.41 -40.88 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.507 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.502 ' N ' ' CG2' ' A' ' 80' ' ' ILE . . . -63.85 -36.37 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.477 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.8 mt -73.66 -36.91 65.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.505 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.2 m-85 -69.31 -33.05 72.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.627 ' O ' ' HB2' ' A' ' 85' ' ' SER . 3.3 m120 -81.2 -8.77 59.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.626 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.627 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 29.2 m . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.606 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 170' ' ' ARG . . . . . 0.433 ' N ' HD13 ' B' ' 394' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 171' ' ' ILE . . . . . 0.47 ' C ' ' OE2' ' B' ' 392' ' ' GLU . 50.2 mm -120.85 131.58 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -80.29 122.24 26.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.48 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -121.91 160.5 24.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.765 ' N ' HD22 ' B' ' 174' ' ' LEU . 2.8 mm? -83.25 112.13 36.45 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.491 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.07 119.71 6.35 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.758 2.305 . . . . 0.0 112.127 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 176' ' ' ALA . . . . . 0.427 ' HB1' ' CZ ' ' B' ' 362' ' ' ARG . . . -93.26 -42.51 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 177' ' ' ALA . . . . . 0.445 ' HB2' ' HG2' ' B' ' 362' ' ' ARG . . . -133.2 111.09 12.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.4 155.74 1.17 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.772 2.314 . . . . 0.0 112.191 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 125.95 160.95 10.81 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 180' ' ' VAL . . . . . 0.417 ' O ' HG13 ' B' ' 180' ' ' VAL . 14.6 p -118.14 132.3 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.373 . . . . 0.0 110.584 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 181' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' B' ' 344' ' ' VAL . . . -136.05 135.15 39.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 11.9 pt -124.62 132.99 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.526 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.424 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 178.76 173.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 184' ' ' GLU . . . . . 0.405 ' HB2' ' CE2' ' B' ' 323' ' ' PHE . 42.0 mt-10 -79.77 158.92 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 185' ' ' GLY . . . . . . . . . . . . . . . -89.86 128.24 9.12 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 186' ' ' TRP . . . . . 0.465 ' O ' HG22 ' B' ' 326' ' ' VAL . 10.0 t90 -122.23 133.75 54.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 0.0 110.539 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 187' ' ' GLN . . . . . 0.701 ' NE2' ' O ' ' B' ' 326' ' ' VAL . 11.2 tp-100 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 0.425 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 0.5 OUTLIER -83.92 131.01 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.486 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.807 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 73.4 m-20 -149.87 93.74 3.91 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.654 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.54 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 35.5 Cg_endo -68.07 -26.99 36.36 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.791 2.327 . . . . 0.0 112.032 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -74.14 -44.63 52.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.463 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 207' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' B' ' 211' ' ' ARG . 9.7 mp -82.36 -37.21 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.807 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 77.2 mm-40 -69.7 -50.06 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.452 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 209' ' ' ARG . . . . . 0.551 ' NH2' ' CZ ' ' B' ' 259' ' ' PHE . 48.2 tpt85 -55.25 -47.57 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.388 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.05 -39.99 75.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.639 ' NH1' ' OE2' ' B' ' 269' ' ' GLU . 29.5 mtp180 -53.79 -42.16 68.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.371 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' B' ' 212' ' ' LEU . 2.3 mm? -65.28 -48.56 72.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.434 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 34.2 m -53.92 -49.02 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.389 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.33 -34.61 90.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.32 -42.18 65.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.737 0.303 . . . . 0.0 110.451 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.493 HD22 ' CZ ' ' B' ' 255' ' ' ARG . 3.9 tp -58.74 -49.14 78.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.464 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -51.84 -35.01 43.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -77.48 -34.26 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -82.47 -48.12 11.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.481 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.4 93.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.515 ' O ' ' HD3' ' B' ' 225' ' ' ARG . 98.1 m-20 -68.8 -31.27 70.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.514 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.679 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.2 OUTLIER -64.03 -37.86 88.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 223' ' ' PHE . . . . . 0.681 ' CD1' ' OG ' ' B' ' 246' ' ' SER . 0.0 OUTLIER -71.36 -49.92 37.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 224' ' ' ARG . . . . . 0.622 ' N ' ' CG ' ' B' ' 223' ' ' PHE . 4.4 ttm180 -51.18 -42.56 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.465 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 225' ' ' ARG . . . . . 0.724 ' O ' ' HG2' ' B' ' 229' ' ' ARG . 40.9 mtp180 -76.17 -31.28 58.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.49 ' HA ' ' HE ' ' B' ' 229' ' ' ARG . 0.2 OUTLIER -64.6 -69.93 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.472 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 87.6 p -52.75 -36.52 57.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.508 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -53.1 -54.0 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 229' ' ' ARG . . . . . 0.724 ' HG2' ' O ' ' B' ' 225' ' ' ARG . 9.9 ptt180 -74.01 -45.68 48.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.606 ' O ' ' N ' ' B' ' 234' ' ' ALA . 1.3 m-85 -52.45 -56.78 12.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -53.2 -34.11 55.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.469 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 232' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 229' ' ' ARG . . . -63.74 -26.46 68.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 233' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -121.61 -63.93 0.23 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.606 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -52.17 -172.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.577 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.584 ' O ' ' OG1' ' B' ' 238' ' ' THR . 4.7 pt20 -91.52 161.12 15.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -34.4 57.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.49 -58.42 5.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.584 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 6.5 p -41.32 -63.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -52.97 -45.33 67.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.624 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 240' ' ' ALA . . . . . 0.419 ' HB2' HH22 ' A' ' 18' ' ' ARG . . . -53.91 -40.55 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.635 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.576 HG22 ' N ' ' B' ' 242' ' ' PHE . 1.0 OUTLIER -65.42 -60.29 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.604 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.576 ' N ' HG22 ' B' ' 241' ' ' ILE . 1.7 m-85 -58.17 -53.89 53.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.04 -44.8 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 0.723 HD23 ' NH2' ' B' ' 294' ' ' ARG . 21.5 tp -69.3 -41.34 76.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.565 ' O ' ' N ' ' B' ' 248' ' ' LEU . 0.5 OUTLIER -70.81 -41.4 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 246' ' ' SER . . . . . 0.681 ' OG ' ' CD1' ' B' ' 223' ' ' PHE . 44.1 m -43.81 -42.14 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.582 ' HA ' ' OG ' ' B' ' 250' ' ' SER . 2.2 t-80 -75.42 -10.79 59.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.848 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 6.2 tt -70.53 -47.15 61.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.538 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.817 ' HG ' ' N ' ' B' ' 250' ' ' SER . 0.7 OUTLIER -85.71 -37.16 19.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 250' ' ' SER . . . . . 0.817 ' N ' ' HG ' ' B' ' 249' ' ' LEU . 54.0 p -64.14 -31.93 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.849 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 10.1 p30 -54.82 117.59 3.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 252' ' ' THR . . . . . 0.423 ' H ' HG22 ' B' ' 252' ' ' THR . 0.6 OUTLIER -53.25 -6.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.621 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' B' ' 251' ' ' ASP . 14.1 ttp-105 -68.52 -58.73 3.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.659 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -47.68 82.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.561 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.493 ' CZ ' HD22 ' B' ' 216' ' ' LEU . 3.3 ttm180 -59.51 -46.04 89.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.698 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -54.98 -42.18 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 3.2 tt0 -63.4 -45.36 91.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.68 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.749 HD23 ' N ' ' B' ' 259' ' ' PHE . 2.2 tt -57.87 -51.0 71.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.704 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 259' ' ' PHE . . . . . 0.749 ' N ' HD23 ' B' ' 258' ' ' LEU . 26.6 m-85 -57.99 -32.8 68.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.562 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 260' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -58.37 -40.54 82.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.62 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.89 -36.56 80.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 262' ' ' VAL . . . . . 0.453 ' HA ' ' OG ' ' B' ' 266' ' ' SER . 54.4 t -69.33 -36.51 72.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.59 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -57.27 -21.26 33.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -85.79 -22.69 27.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 128.18 24.85 1.13 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 266' ' ' SER . . . . . 0.453 ' OG ' ' HA ' ' B' ' 262' ' ' VAL . 26.9 p -100.68 162.47 12.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.616 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 3.1 m -107.38 155.32 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -54.19 -43.68 70.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.653 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.639 ' OE2' ' NH1' ' B' ' 211' ' ' ARG . 3.3 mp0 -44.66 -57.6 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.644 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -79.03 -37.02 40.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.561 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -57.08 -48.83 77.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 272' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.46 -36.08 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.647 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.522 ' CD ' ' C ' ' B' ' 273' ' ' LYS . 0.0 OUTLIER -79.87 -38.15 33.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.721 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 98.7 m -67.82 -56.44 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.558 ' CG1' ' N ' ' B' ' 276' ' ' ILE . 3.6 p -51.7 -44.96 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.508 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.558 ' N ' ' CG1' ' B' ' 275' ' ' VAL . 22.5 mm -65.61 -37.91 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 0.8 OUTLIER -67.1 -35.65 80.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.533 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -70.25 -36.31 74.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.651 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 279' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' B' ' 283' ' ' PHE . 1.8 m-85 -85.33 -14.36 46.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.494 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 280' ' ' ALA . . . . . 0.594 ' O ' ' HB3' ' B' ' 284' ' ' ALA . . . -74.79 -32.93 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.645 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.611 ' O ' ' HB2' ' B' ' 285' ' ' ALA . 6.4 mp0 -98.69 -39.92 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.614 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.77 -44.27 90.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.578 ' CD2' ' N ' ' B' ' 284' ' ' ALA . 0.0 OUTLIER -82.14 -33.02 29.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 284' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' B' ' 280' ' ' ALA . . . -85.79 1.09 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 285' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' B' ' 281' ' ' GLU . . . -81.17 -7.25 59.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.66 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.444 ' HG ' ' CD1' ' A' ' 53' ' ' LEU . 2.0 mm? -75.22 -178.73 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.629 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 75.4 m -101.59 -32.06 10.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.652 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.698 ' HB3' HD21 ' B' ' 291' ' ' LEU . 8.9 t70 -49.76 142.44 8.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -83.52 -37.67 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 290' ' ' TYR . . . . . 0.471 ' OH ' ' NH1' ' B' ' 294' ' ' ARG . 30.9 t80 -45.8 -29.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.467 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.957 HD13 HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -100.09 -63.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' B' ' 284' ' ' ALA . 0.1 OUTLIER -37.32 -41.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -72.46 -48.65 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.723 ' NH2' HD23 ' B' ' 244' ' ' LEU . 29.2 mtt180 -56.33 -19.42 14.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 295' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 294' ' ' ARG . . . -37.45 -50.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.42 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -47.41 -41.01 16.5 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' B' ' 294' ' ' ARG . 8.8 m-20 -65.53 -46.52 79.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 0.0 110.497 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.81 -54.53 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.378 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -59.35 -36.5 75.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.42 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -62.32 -41.41 98.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.341 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' B' ' 301' ' ' LEU . 0.2 OUTLIER -54.33 -43.75 71.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.375 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.78 -41.72 99.21 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -60.0 -45.01 94.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.862 0.363 . . . . 0.0 110.471 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.679 HH11 ' CD ' ' B' ' 222' ' ' GLU . 14.2 mmm-85 -63.47 -41.65 98.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.325 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 305' ' ' LEU . . . . . 0.585 ' O ' HD23 ' B' ' 309' ' ' LEU . 1.1 tp -65.61 -39.6 91.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.451 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 306' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' B' ' 306' ' ' LEU . 0.5 OUTLIER -65.57 -37.83 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.36 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -67.25 -42.53 83.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.359 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 308' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 5.9 m-70 -69.48 -27.34 65.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.452 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.585 HD23 ' O ' ' B' ' 305' ' ' LEU . 0.9 OUTLIER -60.28 -15.35 24.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.589 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -110.73 111.65 22.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 6.5 tpp85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.872 0.368 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 171.97 156.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' B' ' 325' ' ' LEU . 8.5 mt -110.22 156.13 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.481 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.475 ' N ' ' CG2' ' B' ' 324' ' ' ILE . 13.7 tp -102.85 125.59 49.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.701 ' O ' ' NE2' ' B' ' 187' ' ' GLN . 0.6 OUTLIER -119.28 98.92 6.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -125.38 155.07 40.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 328' ' ' ASP . . . . . 0.592 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 6.3 p-10 -68.58 -30.88 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.544 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.455 ' O ' ' OE1' ' B' ' 329' ' ' GLU . 0.3 OUTLIER -148.01 132.86 18.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' B' ' 357' ' ' ALA . 0.9 OUTLIER -74.44 118.41 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.575 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 331' ' ' SER . . . . . 0.596 ' HB3' HG22 ' B' ' 333' ' ' THR . 75.1 m -128.63 134.83 48.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -49.49 -40.18 36.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.596 HG22 ' HB3' ' B' ' 331' ' ' SER . 2.0 t -48.6 -49.25 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 334' ' ' THR . . . . . 0.516 ' N ' HG23 ' B' ' 333' ' ' THR . 8.7 m -60.53 -50.82 72.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 1.6 tp -50.16 -45.57 53.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -78.78 14.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -102.6 -37.02 8.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 1.193 HD22 ' O ' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -126.94 136.05 28.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.639 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 339' ' ' PRO . . . . . 0.634 ' O ' ' CD2' ' B' ' 338' ' ' LEU . 52.2 Cg_exo -47.9 147.16 7.79 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.84 2.36 . . . . 0.0 112.077 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -73.6 -22.27 60.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.16 -42.92 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.453 ' HD3' ' HB2' ' B' ' 339' ' ' PRO . 3.8 mpt_? -77.0 -4.09 42.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' B' ' 343' ' ' LEU . 23.0 tp -97.18 100.08 11.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.485 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.582 ' O ' ' HB1' ' B' ' 181' ' ' ALA . 17.4 m -107.25 14.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.624 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 160.77 144.91 4.13 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.74 HG13 HG23 ' B' ' 368' ' ' THR . 3.6 p -138.63 152.45 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 0.0 110.606 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 347' ' ' VAL . . . . . 0.449 HG13 HG12 ' B' ' 326' ' ' VAL . 0.8 OUTLIER -144.74 126.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.558 HG12 ' H ' ' B' ' 350' ' ' ASP . 15.6 t -111.03 154.72 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -87.63 -31.84 19.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.665 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.558 ' H ' HG12 ' B' ' 348' ' ' VAL . 58.6 t0 -142.8 -102.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.558 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 25.71 72.34 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 352' ' ' ALA . . . . . 0.759 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -90.75 178.52 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.606 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 353' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 89.8 -174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.604 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 354' ' ' ASN . . . . . 0.553 ' O ' ' O ' ' B' ' 355' ' ' SER . 38.1 m-20 -62.72 -42.46 99.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 355' ' ' SER . . . . . 0.553 ' O ' ' O ' ' B' ' 354' ' ' ASN . 0.1 OUTLIER 54.65 148.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.52 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 356' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' B' ' 360' ' ' MET . 29.8 mt-30 -67.59 -41.26 84.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 357' ' ' ALA . . . . . 0.42 ' HB1' HD22 ' B' ' 330' ' ' LEU . . . -80.9 -48.64 12.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.625 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 358' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' B' ' 354' ' ' ASN . . . -53.72 -48.36 69.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.52 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.47 HG23 ' N ' ' B' ' 360' ' ' MET . 15.0 tt -61.79 -40.52 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 360' ' ' MET . . . . . 0.47 ' N ' HG23 ' B' ' 359' ' ' ILE . 55.6 mtm -69.74 -44.04 71.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.521 HG12 ' N ' ' B' ' 362' ' ' ARG . 0.5 OUTLIER -62.63 -42.06 94.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.622 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.521 ' N ' HG12 ' B' ' 361' ' ' VAL . 2.8 mtt180 -62.65 -45.12 94.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.51 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.417 ' HB3' ' OE1' ' B' ' 235' ' ' GLN . . . -66.04 -27.88 68.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 364' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' B' ' 364' ' ' LEU . 4.9 tp -69.78 -26.18 64.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 89.44 31.21 11.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 2.2 mm -105.58 122.7 41.83 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.29 129.64 16.17 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.841 2.36 . . . . 0.0 112.205 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 368' ' ' THR . . . . . 0.74 HG23 HG13 ' B' ' 346' ' ' VAL . 98.3 m -148.69 151.26 34.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 4.0 p -146.95 149.37 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.546 ' O ' ' N ' ' B' ' 174' ' ' LEU . 2.3 mtt -133.47 163.54 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 107.52 2.52 35.14 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.03 109.09 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 110.548 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 373' ' ' ASP . . . . . 0.636 ' C ' HD13 ' B' ' 374' ' ' ILE . 22.1 p30 -99.46 34.3 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.737 HD13 ' N ' ' B' ' 374' ' ' ILE . 0.0 OUTLIER -105.37 163.86 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.553 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 20.1 mp0 -80.68 118.66 73.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.608 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.44 -40.79 29.37 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.846 2.364 . . . . 0.0 112.122 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 35.3 t -53.3 -54.89 29.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.597 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 69.4 t -57.51 -42.05 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.414 ' C ' ' H ' ' B' ' 381' ' ' ARG . 3.9 mp -64.4 -35.9 82.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.706 ' O ' ' CG ' ' B' ' 380' ' ' HIS . 6.6 t60 -76.86 39.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.567 ' C ' ' HG2' ' B' ' 382' ' ' ARG . 0.3 OUTLIER -161.3 12.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.519 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 382' ' ' ARG . . . . . 0.567 ' HG2' ' C ' ' B' ' 381' ' ' ARG . 13.9 mmt85 -148.05 175.52 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 21.8 m -84.61 141.94 30.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.621 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.758 ' C ' HD13 ' B' ' 385' ' ' ILE . 13.2 mt -115.08 140.47 49.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.444 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 385' ' ' ILE . . . . . 0.758 HD13 ' C ' ' B' ' 384' ' ' LEU . 0.2 OUTLIER -130.46 95.54 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.533 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.1 141.78 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.695 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.678 ' O ' ' N ' ' B' ' 391' ' ' GLY . 60.1 t0 -139.16 81.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.587 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -51.61 -39.46 45.83 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -55.5 -50.99 68.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.572 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 390' ' ' ARG . . . . . 0.478 ' NH1' HD11 ' B' ' 394' ' ' LEU . 34.5 ttp180 -93.95 -11.89 29.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 55.0 47.06 75.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 392' ' ' GLU . . . . . 0.47 ' OE2' ' C ' ' B' ' 171' ' ' ILE . 1.0 OUTLIER -127.17 160.53 30.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.712 0.291 . . . . 0.0 110.581 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.45 ' C ' HD22 ' B' ' 394' ' ' LEU . 12.3 tp -125.23 115.48 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.961 ' N ' HD22 ' B' ' 394' ' ' LEU . 1.4 mm? -96.69 154.77 17.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.587 ' O ' ' C ' ' B' ' 396' ' ' ASP . 18.4 m -123.28 91.07 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' B' ' 395' ' ' VAL . 16.6 p-10 23.72 56.21 0.3 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.529 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 40.4 Cg_endo . . . . . 0 C--N 1.306 -1.683 0 C-N-CA 122.737 2.291 . . . . 0.0 112.152 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.5 t -84.6 159.16 20.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.573 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.536 HG21 ' OE2' ' A' ' 72' ' ' GLU . 69.0 t -133.2 120.36 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.6 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 5' ' ' GLN . 46.6 pttt -127.61 171.24 11.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.641 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 31.7 mt-30 -158.82 135.0 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.461 HG22 ' OE2' ' A' ' 8' ' ' GLU . 73.9 m -81.95 124.29 29.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.4 t -125.16 127.08 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.461 ' OE2' HG22 ' A' ' 6' ' ' THR . 2.8 mm-40 -83.43 125.92 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.7 mt -88.95 105.29 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 1.24 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 57.6 p -83.4 56.62 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 1.24 ' OD1' ' O ' ' A' ' 10' ' ' THR . 2.6 p-10 63.83 24.57 13.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -165.58 99.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.751 ' O ' HD13 ' A' ' 13' ' ' LEU . 1.1 tm? -61.03 -11.54 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.564 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.45 -89.7 0.11 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.643 ' O ' ' N ' ' A' ' 17' ' ' ALA . 10.1 mtm -133.57 -164.74 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.585 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.704 ' C ' ' H ' ' A' ' 18' ' ' ARG . 8.0 t-80 -58.08 68.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.56 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.643 ' N ' ' O ' ' A' ' 15' ' ' MET . . . 55.88 -7.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.503 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.704 ' H ' ' C ' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -43.77 -53.1 13.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.621 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 51.8 Cg_exo -47.87 -49.17 14.27 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.796 2.331 . . . . 0.0 112.166 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.05 87.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.432 ' SD ' HD12 ' B' ' 244' ' ' LEU . 10.2 tpt -64.94 -40.68 95.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.502 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -64.06 -37.71 88.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.818 HD21 HG12 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -50.22 -45.54 53.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -56.92 -39.45 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.566 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -73.85 -33.91 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.65 -43.12 81.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.49 ' SD ' HG12 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -54.6 -33.68 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -79.26 -34.58 42.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.67 -31.05 41.78 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -106.04 153.24 22.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.511 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 10.2 m-20 -97.38 94.1 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 167.64 155.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 2.3 mm-40 -100.3 130.23 46.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.808 HG11 HD12 ' A' ' 23' ' ' LEU . 8.7 p -107.37 132.87 53.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -134.53 136.38 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.802 ' N ' HD12 ' A' ' 36' ' ' LEU . 3.6 mp -106.06 151.23 24.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -147.72 133.87 19.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.658 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 1.062 HD22 ' CB ' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -91.02 156.12 18.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.63 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -53.21 -28.45 26.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 1.062 ' CB ' HD22 ' A' ' 38' ' ' ASN . 2.9 tp10 -67.47 -10.22 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.471 ' N ' ' OD1' ' A' ' 38' ' ' ASN . . . 91.53 12.32 59.74 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.7 m -85.21 116.57 23.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.488 ' OE1' ' CG ' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -77.47 103.65 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.569 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.641 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.9 64.98 6.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' CG ' ' OE1' ' A' ' 43' ' ' GLU . 41.8 mt-10 -40.26 121.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.705 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -63.16 -9.7 12.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -99.81 27.54 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -145.63 124.48 12.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.559 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 p -64.13 -36.13 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.52 HG12 ' N ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -61.29 -37.15 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.641 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.21 -42.01 93.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 52' ' ' LEU . 93.1 mt -59.55 -38.39 80.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.183 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -65.82 -33.49 75.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.601 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.955 ' N ' HD13 ' A' ' 53' ' ' LEU . 1.2 tpt -71.81 -34.67 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD21 ' HG ' ' A' ' 13' ' ' LEU . 3.3 tt -64.86 -34.46 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.594 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -34.79 61.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.88 -6.62 51.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.708 ' HB2' HH11 ' A' ' 61' ' ' ARG . . . -83.25 28.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.612 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -68.72 97.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.01 5.89 40.43 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.708 HH11 ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -105.83 165.27 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.549 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -98.91 142.47 30.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 38' ' ' ASN . 40.6 pt -130.17 162.34 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.584 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.684 ' O ' ' OE1' ' A' ' 66' ' ' GLU . 41.8 tt0 -124.55 100.82 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.503 ' HB ' HD21 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -80.56 128.23 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.538 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.684 ' OE1' ' O ' ' A' ' 64' ' ' GLU . 3.9 pm0 -120.88 138.01 54.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.554 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.54 131.92 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.465 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 73.1 m -124.91 128.28 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 72' ' ' GLU . . . 142.84 162.54 9.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -47.28 -45.82 21.26 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.828 2.352 . . . . 0.0 112.124 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.7 mp0 -92.76 5.26 51.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.655 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.586 ' C ' ' OE1' ' A' ' 72' ' ' GLU . 1.3 pp20? -35.57 -38.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 5.9 tp10 -63.98 -49.56 72.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.548 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' GLN . 14.3 mp0 -56.96 -51.17 70.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.621 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.019 ' O ' HG13 ' A' ' 79' ' ' VAL . . . -56.04 -49.36 73.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.952 ' O ' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -64.67 -44.11 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.531 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.0 99.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.48 -43.9 98.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.019 HG13 ' O ' ' A' ' 75' ' ' ALA . 2.5 m -66.44 -42.75 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -64.72 -41.75 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.472 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.521 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.73 -35.3 80.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.457 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 36.6 mt -74.16 -37.73 63.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.507 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.475 ' N ' ' CD2' ' A' ' 83' ' ' PHE . 10.3 m-30 -69.78 -31.87 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.458 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 85' ' ' SER . 93.0 m-20 -82.39 -3.46 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.57 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 171' ' ' ILE . . . . . 0.525 ' HB ' HD23 ' B' ' 393' ' ' LEU . 4.7 mp -126.32 150.04 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.6 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.539 HH12 ' CZ ' ' B' ' 390' ' ' ARG . 7.5 mmt180 -100.95 128.03 47.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.958 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -128.39 158.72 37.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.552 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.472 ' O ' ' HG3' ' B' ' 370' ' ' MET . 11.8 mt -69.8 115.62 35.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.88 102.0 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.78 2.32 . . . . 0.0 112.139 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -78.1 -35.83 48.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.464 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -143.25 135.79 13.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.66 148.35 46.95 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.72 2.28 . . . . 0.0 112.132 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 130.09 164.3 11.32 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 180' ' ' VAL . . . . . 0.458 HG12 ' N ' ' B' ' 181' ' ' ALA . 61.3 t -105.03 156.46 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.568 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 181' ' ' ALA . . . . . 0.458 ' N ' HG12 ' B' ' 180' ' ' VAL . . . -146.78 126.23 13.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.619 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 182' ' ' ILE . . . . . 0.569 HG23 ' O ' ' B' ' 182' ' ' ILE . 17.2 tt -132.71 119.52 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.56 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 175.9 -178.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.466 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -77.83 152.33 33.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.619 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -92.14 142.34 15.99 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 186' ' ' TRP . . . . . 0.48 ' CE3' ' O ' ' B' ' 187' ' ' GLN . 9.9 t90 -148.82 140.52 23.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 110.617 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 187' ' ' GLN . . . . . 0.48 ' O ' ' CE3' ' B' ' 186' ' ' TRP . 16.6 pt20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 202' ' ' THR . . . . . 0.752 ' C ' HD13 ' B' ' 203' ' ' LEU . 3.4 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 1.194 HD13 ' N ' ' B' ' 203' ' ' LEU . 0.0 OUTLIER -86.09 142.26 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.461 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.772 ' HB2' ' HG2' ' B' ' 208' ' ' GLU . 75.9 m-20 -147.72 101.9 3.69 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -70.59 -2.82 11.38 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.629 2.22 . . . . 0.0 112.061 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 206' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -113.24 -39.0 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.483 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 207' ' ' LEU . . . . . 0.858 ' O ' ' HB3' ' B' ' 211' ' ' ARG . 0.8 OUTLIER -88.91 -33.57 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.772 ' HG2' ' HB2' ' B' ' 204' ' ' ASP . 69.2 mm-40 -76.51 -44.64 34.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -70.34 -48.34 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.637 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 210' ' ' GLU . . . . . 0.421 ' O ' HG22 ' B' ' 213' ' ' THR . 6.7 tm-20 -67.25 -43.37 82.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.456 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.858 ' HB3' ' O ' ' B' ' 207' ' ' LEU . 0.1 OUTLIER -64.13 -33.45 75.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.452 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.604 ' N ' ' HG3' ' B' ' 211' ' ' ARG . 2.1 mt -69.24 -62.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.499 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 213' ' ' THR . . . . . 0.621 HG23 ' N ' ' B' ' 214' ' ' GLY . 6.2 t -45.02 -50.49 10.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 214' ' ' GLY . . . . . 0.621 ' N ' HG23 ' B' ' 213' ' ' THR . . . -57.68 -37.19 82.29 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.14 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.496 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.726 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.9 mp -54.24 -49.87 68.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 0.7 OUTLIER -50.66 -35.88 32.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.442 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.62 -38.22 48.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -85.77 -50.62 7.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.68 -49.34 73.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.562 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.63 ' C ' ' HE ' ' B' ' 225' ' ' ARG . 96.9 m-20 -63.0 -34.74 78.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.476 ' OE2' ' CZ ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -60.78 -43.16 98.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 223' ' ' PHE . . . . . 0.433 ' N ' ' HG2' ' B' ' 222' ' ' GLU . 24.5 m-85 -64.92 -45.87 84.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.655 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 224' ' ' ARG . . . . . 0.535 ' NH1' ' OD1' ' B' ' 221' ' ' ASN . 5.0 mtp180 -65.67 -37.53 86.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.478 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 225' ' ' ARG . . . . . 0.63 ' HE ' ' C ' ' B' ' 221' ' ' ASN . 80.3 mtm180 -71.72 -32.13 67.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 8.1 m-30 -64.91 -52.51 56.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.477 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 2.2 p -53.74 -50.44 65.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.457 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -40.44 75.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -71.91 -41.7 67.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.528 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' B' ' 234' ' ' ALA . 21.2 m-85 -69.62 -41.42 75.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.632 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -50.46 -33.5 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.471 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.62 -22.64 62.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -129.87 -65.65 0.11 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -51.27 164.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.486 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.581 HE21 ' HB3' ' B' ' 237' ' ' GLU . 8.7 pt20 -71.44 -176.62 1.58 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -72.94 -38.67 66.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.505 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.581 ' HB3' HE21 ' B' ' 235' ' ' GLN . 41.3 tt0 -47.18 -54.94 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.479 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -52.5 -61.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.613 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -50.99 -41.8 59.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.21 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' B' ' 238' ' ' THR . 5.8 mm -66.21 -66.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.504 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.574 ' O ' ' N ' ' B' ' 245' ' ' TYR . 11.1 m-85 -54.49 -60.83 2.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' B' ' 242' ' ' PHE . 63.9 t0 -35.33 -41.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' B' ' 244' ' ' LEU . 14.4 tp -67.56 -41.27 84.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' B' ' 242' ' ' PHE . 19.5 m-30 -63.2 -48.17 79.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.575 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.9 -46.74 52.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.614 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 247' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -70.66 -34.01 71.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.537 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.864 ' O ' HD12 ' B' ' 248' ' ' LEU . 0.1 OUTLIER -69.12 -39.41 78.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.604 ' N ' ' HG ' ' B' ' 248' ' ' LEU . 16.9 tp -75.88 -42.39 49.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.628 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 88.6 p -71.99 -14.22 61.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.799 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 44.9 p30 -51.89 133.32 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 71.0 p -60.55 -2.31 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.467 ' H ' ' C ' ' B' ' 251' ' ' ASP . 48.4 ttt85 -77.88 -49.36 14.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.537 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 254' ' ' LEU . . . . . 0.439 ' O ' HD23 ' B' ' 254' ' ' LEU . 2.1 tt -73.23 -45.73 54.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.558 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.426 HH21 ' HD2' ' B' ' 255' ' ' ARG . 9.3 ttm180 -57.45 -48.62 78.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -56.97 -43.09 81.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.594 ' OE2' ' CZ ' ' B' ' 279' ' ' PHE . 27.4 mt-10 -56.61 -45.9 81.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.61 HD23 HG21 ' B' ' 275' ' ' VAL . 80.2 mt -54.39 -60.98 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -57.24 -34.32 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.32 92.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -69.04 -40.45 78.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 64.4 t -66.83 -38.34 81.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -58.96 -17.16 22.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.527 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -93.22 -19.51 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.534 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 119.95 30.3 1.51 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 34.0 m -107.35 156.57 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.54 143.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.675 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -53.39 -59.1 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.541 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' B' ' 268' ' ' ALA . 2.5 mp0 -32.2 -50.41 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 -35.28 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.607 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -54.42 -46.44 73.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.862 ' O ' HG23 ' B' ' 276' ' ' ILE . 18.8 m -67.21 -30.77 50.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -74.64 -42.97 57.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 93.5 m -66.58 -52.26 47.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.61 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.61 HG21 HD23 ' B' ' 258' ' ' LEU . 71.2 t -52.73 -58.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.862 HG23 ' O ' ' B' ' 272' ' ' VAL . 28.4 pt -56.18 -39.51 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.587 ' N ' HG13 ' B' ' 276' ' ' ILE . 43.3 tp10 -66.72 -38.23 86.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 278' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' B' ' 282' ' ' GLN . 5.2 ttpt -76.68 -22.07 54.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 279' ' ' PHE . . . . . 0.594 ' CZ ' ' OE2' ' B' ' 257' ' ' GLU . 0.6 OUTLIER -85.41 -34.8 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.622 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 280' ' ' ALA . . . . . 0.675 ' O ' ' CB ' ' B' ' 284' ' ' ALA . . . -72.76 -34.34 66.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.665 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' B' ' 281' ' ' GLU . 0.2 OUTLIER -78.58 -42.32 29.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 282' ' ' GLN . . . . . 0.528 ' HB3' ' CE2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -46.76 -56.2 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.528 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.644 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -79.01 -42.36 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.649 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 284' ' ' ALA . . . . . 0.71 ' HB2' ' CB ' ' B' ' 295' ' ' ALA . . . -61.27 6.94 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 285' ' ' ALA . . . . . 0.577 ' H ' ' C ' ' B' ' 283' ' ' PHE . . . -104.54 -3.49 23.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 1.056 HD22 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -86.23 -167.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.653 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 78.2 p -109.28 -24.45 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.452 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.711 ' O ' ' HB2' ' B' ' 292' ' ' LYS . 4.1 m-20 -50.88 100.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.668 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -70.9 -43.03 69.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 290' ' ' TYR . . . . . 0.576 ' CD2' ' CD2' ' B' ' 291' ' ' LEU . 5.1 t80 -60.41 -31.51 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.436 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.953 ' HB3' HD23 ' A' ' 53' ' ' LEU . 3.6 mm? -102.61 -34.49 9.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.711 ' HB2' ' O ' ' B' ' 288' ' ' ASP . 3.1 tttp -41.8 -52.98 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 293' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 296' ' ' GLY . 4.8 tt0 -43.27 -29.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.597 ' HB2' ' O ' ' B' ' 291' ' ' LEU . 9.4 tpp180 -40.24 -43.1 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.351 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 295' ' ' ALA . . . . . 0.71 ' CB ' ' HB2' ' B' ' 284' ' ' ALA . . . -57.59 -45.79 84.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.316 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 296' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -53.84 -45.39 70.28 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.511 ' CG ' ' OH ' ' B' ' 245' ' ' TYR . 3.7 m-20 -62.71 -39.03 92.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 110.284 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 298' ' ' LEU . . . . . 0.445 HD11 ' CD2' ' B' ' 248' ' ' LEU . 6.0 mp -60.29 -49.48 77.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.3 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -54.04 -44.82 71.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.216 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.432 ' CB ' HG21 ' B' ' 333' ' ' THR . . . -63.96 -38.22 90.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.173 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.546 HD21 HD13 ' B' ' 249' ' ' LEU . 4.1 tt -63.85 -40.3 96.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.205 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.23 -41.86 99.62 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.34 -41.66 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.476 ' CZ ' ' OE2' ' B' ' 222' ' ' GLU . 1.5 mmm180 -68.55 -41.6 79.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.237 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.77 -39.74 84.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.296 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 306' ' ' LEU . . . . . 0.514 ' O ' HD23 ' B' ' 306' ' ' LEU . 2.4 tt -69.07 -38.73 79.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.399 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 307' ' ' PHE . . . . . 0.542 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.9 m-85 -68.88 -41.64 78.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.425 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 308' ' ' HIS . . . . . 0.452 ' C ' ' N ' ' B' ' 310' ' ' ASP . 42.2 m-70 -70.92 -28.38 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' B' ' 309' ' ' LEU . 9.4 tp -48.63 -13.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.524 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 310' ' ' ASP . . . . . 0.542 ' OD1' ' O ' ' B' ' 307' ' ' PHE . 0.0 OUTLIER -133.84 92.17 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' B' ' 310' ' ' ASP . 90.6 m-20 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.478 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.728 ' O ' ' HD1' ' B' ' 323' ' ' PHE . 20.7 mmm-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.728 ' HD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER -150.24 154.01 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.599 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.56 HG13 ' HB3' ' B' ' 183' ' ' ALA . 56.4 mt -115.78 137.44 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.653 HD23 ' C ' ' B' ' 325' ' ' LEU . 6.9 tt -94.56 122.69 37.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.647 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.562 ' N ' HD23 ' B' ' 325' ' ' LEU . 34.4 t -119.25 118.51 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -140.24 136.9 33.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 328' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 51.7 p30 -64.27 -20.48 66.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.471 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' B' ' 330' ' ' LEU . 13.3 tm-20 -138.74 138.29 37.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.556 HD21 ' CG1' ' B' ' 348' ' ' VAL . 98.5 mt -82.78 118.86 23.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.4 122.07 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.431 ' N ' ' HB2' ' B' ' 357' ' ' ALA . . . -60.51 -41.88 95.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.432 HG21 ' CB ' ' B' ' 300' ' ' ALA . 1.2 t -52.89 -33.57 50.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.61 -50.18 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' B' ' 337' ' ' GLU . 5.5 mp -61.42 -23.15 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.602 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.41 11.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.693 ' C ' HD22 ' B' ' 338' ' ' LEU . 39.5 mt-10 -106.74 -34.23 7.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.845 HD22 ' N ' ' B' ' 338' ' ' LEU . 2.7 mm? -104.73 141.74 23.18 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.77 162.18 41.85 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.753 2.302 . . . . 0.0 112.157 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -70.64 -16.16 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.35 -39.75 64.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.472 HH11 HD23 ' B' ' 343' ' ' LEU . 0.1 OUTLIER -80.54 -25.63 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.566 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.472 HD23 HH11 ' B' ' 342' ' ' ARG . 90.4 mt -79.19 102.72 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 1.1 m -116.03 4.15 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 177.94 151.35 9.25 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 69.1 t -135.36 145.52 31.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.341 . . . . 0.0 110.6 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 61.9 t -147.13 120.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.556 ' CG1' HD21 ' B' ' 330' ' ' LEU . 0.4 OUTLIER -119.26 153.03 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.512 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 349' ' ' ARG . . . . . 0.402 ' N ' HG23 ' B' ' 348' ' ' VAL . 36.9 ttm-85 -86.25 -42.33 13.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.537 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.424 ' O ' ' CG2' ' B' ' 348' ' ' VAL . 5.3 p-10 -133.53 -116.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.548 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.417 ' N ' ' OD2' ' B' ' 350' ' ' ASP . . . 64.3 160.24 0.39 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -69.2 153.42 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.11 -11.1 55.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -131.56 47.25 2.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 5.3 p -85.51 165.73 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 356' ' ' GLN . . . . . 0.417 ' O ' HG22 ' B' ' 359' ' ' ILE . 17.0 pt20 -54.88 -37.47 66.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 357' ' ' ALA . . . . . 0.431 ' HB2' ' N ' ' B' ' 332' ' ' ALA . . . -77.88 -33.73 51.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.636 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.96 99.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.576 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.417 HG22 ' O ' ' B' ' 356' ' ' GLN . 8.9 tt -73.74 -24.89 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.494 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 360' ' ' MET . . . . . 0.431 ' O ' HD23 ' B' ' 364' ' ' LEU . 12.0 ttt -70.19 -48.28 57.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.642 HG11 ' OG1' ' B' ' 368' ' ' THR . 46.1 t -66.48 -44.35 90.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' B' ' 363' ' ' ALA . 0.0 OUTLIER -60.98 -46.43 90.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.628 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.543 ' N ' ' HG2' ' B' ' 362' ' ' ARG . . . -66.27 -29.25 69.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.581 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 364' ' ' LEU . . . . . 0.431 HD23 ' O ' ' B' ' 360' ' ' MET . 0.8 OUTLIER -66.75 -26.8 67.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.507 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.49 22.14 24.99 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 366' ' ' ILE . . . . . 0.766 HG23 ' HD2' ' B' ' 367' ' ' PRO . 1.3 mm -104.35 143.22 26.25 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 367' ' ' PRO . . . . . 0.766 ' HD2' HG23 ' B' ' 366' ' ' ILE . 50.3 Cg_endo -72.65 131.09 16.76 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.892 2.395 . . . . 0.0 112.083 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 368' ' ' THR . . . . . 0.642 ' OG1' HG11 ' B' ' 361' ' ' VAL . 69.6 m -144.74 147.95 33.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.52 148.64 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.958 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 0.1 OUTLIER -126.6 167.11 16.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 92.47 -1.14 72.04 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -54.95 114.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 373' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' B' ' 373' ' ' ASP . 25.6 p-10 -83.66 27.36 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.619 HG21 HD21 ' B' ' 379' ' ' LEU . 25.5 mm -112.23 126.25 69.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -83.5 131.97 51.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 376' ' ' PRO . . . . . 0.641 ' HA ' HD12 ' B' ' 379' ' ' LEU . 52.8 Cg_exo -47.7 -28.24 9.15 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.858 2.372 . . . . 0.0 112.002 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 37.7 t -52.21 -48.8 64.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 378' ' ' VAL . . . . . 0.43 HG12 ' O ' ' B' ' 378' ' ' VAL . 3.5 t -88.71 27.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.614 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.649 ' O ' ' C ' ' B' ' 380' ' ' HIS . 96.9 mt -124.94 -19.67 5.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.565 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.649 ' C ' ' O ' ' B' ' 379' ' ' LEU . 2.1 p80 15.66 -85.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.598 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.1 OUTLIER -140.85 24.29 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.683 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.76 168.52 4.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 1.7 m -78.47 129.14 34.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.572 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' B' ' 384' ' ' LEU . 5.1 mt -119.82 136.51 54.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.592 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 96.7 mt -136.58 110.75 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.532 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 18.8 m -124.79 158.59 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.629 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.5 t0 -138.37 108.84 6.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -54.95 -37.25 62.04 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -60.14 -50.65 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 390' ' ' ARG . . . . . 0.539 ' CZ ' HH12 ' B' ' 172' ' ' ARG . 15.6 mmm180 -88.49 -8.14 55.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.582 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 47.23 49.87 18.13 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 392' ' ' GLU . . . . . 1.009 ' C ' HD13 ' B' ' 393' ' ' LEU . 1.5 pm0 -133.26 164.34 27.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.658 0.266 . . . . 0.0 110.659 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 1.129 HD22 ' N ' ' B' ' 393' ' ' LEU . 0.0 OUTLIER -126.22 130.83 51.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.567 HD23 ' HG3' ' B' ' 397' ' ' PRO . 6.9 mp -108.53 150.16 27.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.621 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.903 ' O ' ' OD1' ' B' ' 396' ' ' ASP . 15.0 p -123.74 102.59 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.502 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.903 ' OD1' ' O ' ' B' ' 395' ' ' VAL . 11.3 p30 29.93 50.1 0.37 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.651 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.3 Cg_endo . . . . . 0 C--N 1.305 -1.72 0 C-N-CA 122.764 2.309 . . . . 0.0 112.23 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.634 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.561 HG22 ' OG1' ' A' ' 68' ' ' THR . 67.7 p -82.92 158.19 22.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.661 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -132.43 117.83 33.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -125.62 173.17 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -162.73 133.58 4.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.46 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.427 ' CG2' ' CD ' ' A' ' 62' ' ' GLN . 24.7 m -78.74 129.42 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.652 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.4 t -130.3 123.67 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.436 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -80.13 127.89 32.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.9 mt -91.22 105.43 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.535 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 1.187 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 88.6 m -83.59 58.01 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 1.187 ' OD1' ' O ' ' A' ' 10' ' ' THR . 24.1 p30 61.97 24.36 14.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -164.8 99.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.522 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.729 ' H ' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -64.45 -3.71 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.46 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 16' ' ' HIS . . . 145.29 -144.45 13.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.52 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -64.36 3.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 110.515 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.649 ' NE2' ' CE2' ' B' ' 290' ' ' TYR . 5.5 t-160 75.44 106.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.767 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 67.99 -59.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.719 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.4 mpt_? -34.05 -46.43 0.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.767 ' HD2' ' C ' ' A' ' 17' ' ' ALA . 37.0 Cg_endo -68.95 -38.16 10.06 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.692 2.262 . . . . 0.0 112.115 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -71.89 -39.95 69.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 21' ' ' MET . 15.9 tmm? -72.91 -38.12 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.579 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -64.24 -36.54 84.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 23' ' ' LEU . 10.9 tp -50.28 -44.18 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -39.35 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -73.78 -35.14 64.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.704 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.888 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 6.1 mp -67.89 -41.25 83.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.821 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 51.9 ttm -58.12 -29.26 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.477 HE22 ' CE1' ' B' ' 247' ' ' HIS . 61.1 mt-30 -86.45 -28.12 23.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.08 -24.12 42.23 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.888 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 2.0 p90 -120.9 138.78 53.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.717 0.294 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.736 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.2 m-20 -80.19 110.65 15.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.746 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.17 148.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.512 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -98.63 127.46 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 23' ' ' LEU . 55.6 t -105.68 134.01 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.487 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 34' ' ' VAL . 67.9 mt -135.43 136.94 41.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.67 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 3.4 mp -107.25 150.62 26.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.472 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -147.84 134.44 19.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.55 HD21 ' N ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -90.4 156.56 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.42 -27.64 25.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.51 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 10.8 mm-40 -68.15 -10.45 54.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.94 12.13 59.42 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -84.75 116.68 23.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -77.55 103.93 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.631 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -90.14 65.12 6.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.633 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -40.62 121.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.658 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -63.28 -9.55 12.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.476 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -99.88 28.54 4.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.11 123.61 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.521 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.7 p -63.74 -35.54 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 51' ' ' ALA . 20.4 tt -61.45 -36.28 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.637 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.631 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.08 -43.3 87.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -58.2 -37.84 75.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.009 HD23 ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -65.62 -35.45 80.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . 1.009 ' N ' HD23 ' A' ' 53' ' ' LEU . 1.7 tmt? -69.54 -35.64 75.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.446 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 4.8 tp -63.74 -36.37 83.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.914 ' OD2' HD11 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -52.06 -35.38 47.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.9 p -76.07 -6.35 50.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.448 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.34 28.84 0.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -68.93 97.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.05 6.04 40.14 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.51 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -107.12 163.6 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.743 0.306 . . . . 0.0 110.561 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.427 ' CD ' ' CG2' ' A' ' 6' ' ' THR . 38.4 tt0 -96.58 144.34 26.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.1 pt -131.59 161.93 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.49 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 29.2 mt-10 -123.38 101.56 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.75 126.71 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.506 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -119.25 139.35 52.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.22 130.59 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.561 ' OG1' HG22 ' A' ' 2' ' ' THR . 52.8 m -123.78 129.61 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.545 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.79 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.53 161.45 8.73 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -46.66 -46.12 18.5 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.791 2.327 . . . . 0.0 112.109 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -92.42 5.62 50.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.515 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.79 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 5.2 pm0 -36.18 -37.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 20.3 pt-20 -63.85 -49.84 71.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 55.9 tt0 -56.4 -53.45 57.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 34' ' ' VAL . . . -53.74 -49.82 67.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.219 ' O ' HG23 ' A' ' 80' ' ' ILE . 56.7 tp -64.51 -44.6 90.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.9 ' O ' HG12 ' A' ' 80' ' ' ILE . . . -61.9 -42.74 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.43 98.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.96 -43.16 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.631 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.219 HG23 ' O ' ' A' ' 76' ' ' LEU . 5.3 pt -64.0 -41.33 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.553 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.505 ' N ' ' CG1' ' A' ' 80' ' ' ILE . . . -63.85 -36.6 84.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -35.56 66.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.573 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.9 m-85 -71.72 -32.74 68.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 85' ' ' SER . 86.5 m-20 -82.53 -3.33 55.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.593 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 84' ' ' ASN . 9.4 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 4.3 mp -113.97 128.24 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -84.08 108.85 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.528 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -110.77 159.92 17.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.3 116.46 57.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.79 110.75 3.09 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.791 2.327 . . . . 0.0 112.185 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -86.41 -33.01 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.527 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.28 115.17 3.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.6 156.05 1.25 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.855 2.37 . . . . 0.0 112.144 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 179' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 123.33 164.72 12.13 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.2 m -120.95 133.5 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.544 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -124.0 131.98 53.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 182' ' ' ILE . . . . . 0.633 HD13 ' N ' ' B' ' 182' ' ' ILE . 0.0 OUTLIER -124.45 121.28 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.456 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.438 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 177.71 177.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -84.19 168.87 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.584 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.52 149.66 19.18 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -149.66 154.31 38.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.57 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.603 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 202' ' ' THR . . . . . 0.421 ' O ' HG23 ' B' ' 202' ' ' THR . 5.7 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.785 0.326 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.38 127.06 34.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.795 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 11.1 p-10 -153.93 98.0 2.63 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.547 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 34.6 Cg_endo -67.9 -37.22 15.98 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.745 2.297 . . . . 0.0 112.055 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.35 89.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.496 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.8 -37.9 12.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.455 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.795 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 67.0 mm-40 -70.9 -58.66 3.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 209' ' ' ARG . . . . . 0.684 HH22 HH22 ' B' ' 256' ' ' ARG . 0.0 OUTLIER -52.79 -48.99 66.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.487 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 210' ' ' GLU . . . . . 0.494 ' O ' HG22 ' B' ' 213' ' ' THR . 82.8 tt0 -62.33 -36.37 81.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.498 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.673 ' CB ' HH21 ' B' ' 211' ' ' ARG . 0.0 OUTLIER -59.1 -39.86 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.475 ' O ' HD23 ' B' ' 216' ' ' LEU . 19.4 tp -66.51 -59.93 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.488 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 213' ' ' THR . . . . . 0.604 ' CG2' ' N ' ' B' ' 214' ' ' GLY . 0.6 OUTLIER -47.66 -46.53 29.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 214' ' ' GLY . . . . . 0.604 ' N ' ' CG2' ' B' ' 213' ' ' THR . . . -66.12 -36.45 91.9 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.64 -41.9 68.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.544 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' B' ' 220' ' ' ALA . 3.0 mm? -59.69 -44.89 93.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 63.4 mm-40 -59.34 -34.62 72.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -77.1 -30.85 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.444 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -93.79 -48.5 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.705 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -57.3 -49.75 75.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 88.7 m-20 -64.65 -31.88 73.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.66 ' HG2' ' CE1' ' B' ' 226' ' ' TYR . 1.0 OUTLIER -78.65 -26.47 45.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 223' ' ' PHE . . . . . 0.576 ' CE2' ' CE2' ' B' ' 242' ' ' PHE . 0.2 OUTLIER -77.88 -36.36 49.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.491 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 224' ' ' ARG . . . . . 0.585 ' CZ ' HH22 ' B' ' 225' ' ' ARG . 53.2 mtp180 -72.68 -45.06 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 225' ' ' ARG . . . . . 0.585 HH22 ' CZ ' ' B' ' 224' ' ' ARG . 3.0 mpt_? -74.33 -22.43 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.66 ' CE1' ' HG2' ' B' ' 222' ' ' GLU . 2.0 m-85 -72.37 -52.29 16.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 227' ' ' SER . . . . . 0.741 ' HB3' ' CD2' ' B' ' 242' ' ' PHE . 9.8 p -73.29 -34.58 65.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.52 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 228' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' B' ' 224' ' ' ARG . 3.8 mtpp -58.15 -53.22 60.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 229' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' B' ' 226' ' ' TYR . 8.5 ptm180 -67.17 -38.0 84.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.543 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' B' ' 234' ' ' ALA . 0.6 OUTLIER -58.29 -47.17 84.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.63 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 231' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -53.58 -37.09 62.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.445 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.11 -20.3 16.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.518 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -125.25 -53.54 0.17 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -65.46 -166.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.63 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.654 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 2.6 tt0 -88.66 163.6 15.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 236' ' ' LYS . . . . . 0.654 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 3.8 tttt -64.16 -22.22 66.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -54.14 -44.56 71.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.411 ' O ' HG22 ' B' ' 241' ' ' ILE . 26.9 m -57.04 -57.91 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 239' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -56.4 -43.6 79.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 240' ' ' ALA . . . . . 0.437 ' CB ' ' NH1' ' A' ' 18' ' ' ARG . . . -59.15 -45.8 90.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.553 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.698 ' CG2' ' N ' ' B' ' 242' ' ' PHE . 1.6 tp -72.32 -53.32 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.741 ' CD2' ' HB3' ' B' ' 227' ' ' SER . 0.4 OUTLIER -59.88 -57.76 11.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' B' ' 239' ' ' ALA . 33.8 t70 -40.19 -35.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.421 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -43.44 61.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.609 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.543 ' CZ ' ' CB ' ' B' ' 297' ' ' ASP . 32.1 m-85 -65.78 -46.74 77.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 70.4 p -50.16 -42.12 50.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.477 ' CE1' HE22 ' A' ' 28' ' ' GLN . 1.8 t-80 -75.64 -28.75 58.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' B' ' 248' ' ' LEU . 0.2 OUTLIER -78.53 -50.39 11.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.615 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.634 HD11 HD11 ' B' ' 305' ' ' LEU . 40.1 tp -57.13 -47.72 80.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 250' ' ' SER . . . . . 0.575 ' O ' ' NH2' ' B' ' 255' ' ' ARG . 98.9 p -78.56 -9.01 59.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.586 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' B' ' 253' ' ' ARG . 67.7 t0 -48.03 121.99 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.606 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 252' ' ' THR . . . . . 0.598 HG22 ' NH1' ' B' ' 255' ' ' ARG . 72.0 p -53.14 -5.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.505 ' H ' ' C ' ' B' ' 251' ' ' ASP . 13.1 ttp180 -80.25 -49.71 11.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.44 -44.98 96.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.598 ' NH1' HG22 ' B' ' 252' ' ' THR . 89.1 mtm-85 -59.52 -44.83 93.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 256' ' ' ARG . . . . . 0.684 HH22 HH22 ' B' ' 209' ' ' ARG . 0.0 OUTLIER -58.37 -38.85 78.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.07 -49.41 77.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.754 HD11 HG21 ' B' ' 275' ' ' VAL . 5.5 mp -61.22 -49.11 78.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.678 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.09 -35.52 73.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.573 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.81 98.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -67.06 -42.16 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.53 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 58.8 t -66.87 -35.42 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.452 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.41 -17.73 14.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.519 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -90.67 -20.23 22.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.608 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 121.17 24.83 2.37 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 44.4 t -104.11 162.67 12.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.852 0.358 . . . . 0.0 110.568 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 267' ' ' VAL . . . . . 0.434 HG12 ' HG2' ' B' ' 269' ' ' GLU . 2.2 t -95.19 144.0 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.565 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' B' ' 271' ' ' ALA . . . -57.67 -54.8 42.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.675 ' CD ' ' H ' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -34.18 -57.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.473 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 270' ' ' TRP . . . . . 0.505 ' O ' ' HG3' ' B' ' 273' ' ' LYS . 32.4 m0 -69.67 -29.9 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.537 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.938 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -70.8 -36.25 72.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.573 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.532 ' HA ' HD21 ' B' ' 258' ' ' LEU . 49.7 t -60.75 -43.08 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.571 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.513 ' HB2' ' HZ2' ' B' ' 273' ' ' LYS . 0.0 OUTLIER -80.03 -39.34 30.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 99.1 m -60.28 -54.21 48.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.604 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.938 HG22 ' O ' ' B' ' 271' ' ' ALA . 35.2 m -59.16 -42.94 88.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.596 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.515 ' N ' HG23 ' B' ' 275' ' ' VAL . 0.9 OUTLIER -67.48 -46.01 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.532 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 73.8 mm-40 -65.62 -40.53 92.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 278' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' B' ' 282' ' ' GLN . 0.0 OUTLIER -63.22 -36.62 84.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -83.11 -13.37 55.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 280' ' ' ALA . . . . . 0.702 ' O ' ' HB3' ' B' ' 284' ' ' ALA . . . -71.29 -37.72 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.618 ' O ' ' HB2' ' B' ' 285' ' ' ALA . 6.6 pm0 -96.83 -28.62 14.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 282' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' B' ' 278' ' ' LYS . 18.6 tt0 -61.18 -51.68 67.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -82.74 -30.24 29.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.596 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 284' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' B' ' 280' ' ' ALA . . . -81.65 2.32 30.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 285' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' B' ' 281' ' ' GLU . . . -80.42 -2.64 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.431 ' O ' ' NZ ' ' B' ' 292' ' ' LYS . 2.0 mm? -76.78 -172.76 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.48 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 78.4 p -109.88 -25.23 10.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.603 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.625 ' OD2' ' OD1' ' A' ' 56' ' ' ASP . 52.4 t0 -64.19 122.81 17.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.576 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -73.97 -29.42 61.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 290' ' ' TYR . . . . . 0.649 ' CE2' ' NE2' ' A' ' 16' ' ' HIS . 18.2 t80 -51.22 -42.83 61.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.583 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.914 HD11 ' OD2' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -93.55 -54.32 3.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.496 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' B' ' 284' ' ' ALA . 17.6 ttmm -39.29 -40.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.32 -38.68 90.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' B' ' 291' ' ' LEU . 1.0 OUTLIER -46.58 -24.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.534 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -41.03 -49.28 3.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -49.76 -43.18 38.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.543 ' CB ' ' CZ ' ' B' ' 245' ' ' TYR . 54.5 m-20 -65.3 -44.91 86.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.756 0.312 . . . . 0.0 110.448 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.91 -49.9 74.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.448 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 47.3 mtt85 -56.1 -38.51 70.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.457 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -60.19 -41.02 92.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.291 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.436 HD22 HD22 ' B' ' 249' ' ' LEU . 71.6 mt -58.26 -44.54 88.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.68 98.87 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -65.02 -37.49 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.393 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.488 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 5.1 mmm180 -71.09 -40.63 71.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.355 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 305' ' ' LEU . . . . . 0.634 HD11 HD11 ' B' ' 249' ' ' LEU . 43.6 mt -59.92 -42.3 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.316 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 306' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' B' ' 306' ' ' LEU . 0.1 OUTLIER -63.73 -39.39 94.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.79 -46.94 79.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.441 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -75.93 -21.78 56.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.432 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 0.8 OUTLIER -83.61 -15.3 49.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.455 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -129.01 90.42 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.588 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.654 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 15.9 ptt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.83 0.347 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 90.9 m-85 -155.67 167.1 31.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.61 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.438 HG13 ' HB3' ' B' ' 183' ' ' ALA . 34.1 mt -114.72 143.17 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.63 ' CD1' HH11 ' B' ' 342' ' ' ARG . 1.2 mp -81.93 114.75 20.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 11.7 t -121.25 89.93 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -132.29 154.06 50.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.574 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 328' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 14.7 p-10 -67.4 -30.9 70.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -134.8 120.67 19.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.9 tp -103.64 131.66 50.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.5 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 4.2 m -144.06 160.62 40.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -51.2 -38.74 54.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.615 HG23 ' N ' ' B' ' 334' ' ' THR . 10.2 t -53.09 -47.21 68.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 334' ' ' THR . . . . . 0.615 ' N ' HG23 ' B' ' 333' ' ' THR . 89.6 m -60.47 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.513 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -42.96 84.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -64.23 -3.23 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.642 ' C ' HD22 ' B' ' 338' ' ' LEU . 31.5 tt0 -97.43 -40.48 8.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.702 HD22 ' N ' ' B' ' 338' ' ' LEU . 3.7 mm? -103.82 146.58 32.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.483 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 339' ' ' PRO . . . . . 0.579 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 51.3 Cg_endo -72.97 138.41 28.33 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.777 2.318 . . . . 0.0 112.187 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -28.3 70.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.786 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 15.5 p30 -60.51 -43.93 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.592 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.786 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 0.1 OUTLIER -77.35 -18.95 56.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.589 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.494 ' N ' ' HG3' ' B' ' 342' ' ' ARG . 3.9 tp -72.53 115.85 12.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.526 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.594 ' O ' HG12 ' B' ' 344' ' ' VAL . 46.9 t -114.86 1.47 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 171.76 169.33 34.46 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 62.0 t -139.79 139.05 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 98.6 t -137.26 124.2 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.481 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' B' ' 370' ' ' MET . 3.4 t -123.69 148.67 27.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -85.44 -38.21 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.498 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' B' ' 350' ' ' ASP . 1.1 p30 -166.69 115.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.552 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.901 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . 154.78 -71.73 0.27 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 352' ' ' ALA . . . . . 0.901 ' O ' ' O ' ' B' ' 351' ' ' GLY . . . -32.08 179.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.363 . . . . 0.0 110.507 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 353' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 80.07 -45.69 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.553 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -131.74 36.74 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 1.1 m -120.01 148.49 43.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 356' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 14.8 pt20 -48.71 -43.77 37.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 357' ' ' ALA . . . . . 0.6 ' O ' HG22 ' B' ' 361' ' ' VAL . . . -67.85 -39.05 83.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 358' ' ' ALA . . . . . 0.416 ' HB2' ' HA ' ' B' ' 352' ' ' ALA . . . -53.07 -40.02 63.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 73.0 mt -70.94 -30.81 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 360' ' ' MET . . . . . 0.536 ' O ' HD13 ' B' ' 364' ' ' LEU . 3.2 tmm? -69.5 -51.95 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.6 HG22 ' O ' ' B' ' 357' ' ' ALA . 5.5 m -64.88 -46.77 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.485 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.43 ' N ' HG23 ' B' ' 361' ' ' VAL . 8.0 ttp180 -59.16 -47.45 85.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.549 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.87 -22.77 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.656 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 364' ' ' LEU . . . . . 0.536 HD13 ' O ' ' B' ' 360' ' ' MET . 1.7 mp -76.73 -24.8 53.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.552 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.08 24.19 23.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 366' ' ' ILE . . . . . 0.456 ' HA ' HD13 ' B' ' 366' ' ' ILE . 24.7 mm -101.77 123.75 42.88 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.66 126.19 12.18 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.706 2.271 . . . . 0.0 112.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 93.4 m -138.19 139.92 39.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 72.3 t -143.43 145.33 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.564 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 19.0 ptm -136.17 168.3 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 111.25 2.9 27.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -70.85 113.02 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.483 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -102.68 33.3 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 6.4 tp -116.51 141.17 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 3.5 mp0 -67.98 116.51 39.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.458 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 376' ' ' PRO . . . . . 0.527 ' HA ' HD23 ' B' ' 379' ' ' LEU . 52.1 Cg_exo -47.69 -17.39 0.69 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.822 2.348 . . . . 0.0 112.2 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 30.5 t -55.7 -46.1 77.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.474 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 65.5 t -60.21 -41.08 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.831 ' N ' HD22 ' B' ' 379' ' ' LEU . 2.3 mm? -73.19 -43.7 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.584 ' O ' ' O ' ' B' ' 185' ' ' GLY . 4.4 t60 36.94 -90.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.483 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' B' ' 379' ' ' LEU . 4.9 ptm180 -127.53 25.67 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.508 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 382' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.8 OUTLIER -78.1 170.62 16.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.5 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 383' ' ' THR . . . . . 0.488 ' OG1' ' HB3' ' B' ' 396' ' ' ASP . 7.2 p -74.04 129.91 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.603 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 384' ' ' LEU . 30.7 mt -118.01 135.04 54.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.485 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 86.9 mt -124.95 94.53 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.728 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.89 146.05 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.8 t0 -133.77 79.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.637 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 388' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -47.22 -44.89 20.79 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -45.55 -47.67 14.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.604 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.4 7.35 22.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 44.12 52.21 7.08 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -120.05 152.91 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.565 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 6.0 tt -128.62 120.5 26.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.552 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 3.6 mp -117.03 160.21 21.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.617 ' O ' ' C ' ' B' ' 396' ' ' ASP . 62.9 t -121.87 108.53 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' B' ' 395' ' ' VAL . 2.1 p30 19.22 57.09 0.2 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.494 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.594 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.5 Cg_endo . . . . . 0 C--N 1.305 -1.711 0 C-N-CA 122.868 2.379 . . . . 0.0 112.207 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ptm . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 3' ' ' VAL . 4.2 m -82.42 159.59 22.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.572 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.624 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -133.54 118.39 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.511 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 4.1 pttt -125.4 172.23 9.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -160.6 135.59 7.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.431 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 127.32 33.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.7 p -128.68 125.99 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -81.52 127.28 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.3 mm -89.77 104.95 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 p -83.1 59.16 4.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 61.33 23.45 13.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' HZ2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.98 103.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -66.81 -2.86 5.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.512 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.92 -96.78 0.17 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.57 ' O ' ' N ' ' A' ' 17' ' ' ALA . 31.9 mtt -136.31 104.31 5.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.65 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 49.61 -84.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.529 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.785 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . -157.49 5.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.444 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.893 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -57.09 -35.31 34.02 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.678 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.893 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 30.4 Cg_endo -66.5 -39.65 15.94 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.701 2.267 . . . . 0.0 112.049 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.583 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -72.72 -36.49 67.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.811 ' SD ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -75.81 -39.69 56.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.456 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -62.18 -37.2 84.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.866 HD22 HG11 ' A' ' 34' ' ' VAL . 2.3 mt -49.65 -44.17 47.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.664 ' CZ ' ' CE1' ' B' ' 247' ' ' HIS . 0.7 OUTLIER -58.06 -37.98 75.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.576 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.52 -33.49 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.621 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.928 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 1.4 mm? -69.95 -39.9 75.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.687 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.819 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 5.4 ttt -60.66 -27.54 67.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -86.52 -28.01 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.03 -23.05 39.48 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.928 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.7 p90 -120.46 136.2 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.757 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 65.7 t0 -77.57 111.56 13.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.503 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.776 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 153.83 147.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -98.36 129.55 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.575 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.866 HG11 HD22 ' A' ' 23' ' ' LEU . 7.6 p -106.26 134.81 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.476 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' C ' HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -135.9 135.62 39.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.9 mm? -105.94 151.69 24.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.499 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -149.36 133.62 17.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 1.2 m-20 -89.91 156.83 18.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.13 -29.11 29.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -65.98 -11.39 47.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.529 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.88 11.18 59.24 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.5 m -84.02 117.55 23.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 110.63 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -78.25 103.39 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.646 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.41 65.47 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.615 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' A' ' 43' ' ' GLU . 91.4 mt-10 -40.94 121.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.658 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . . . -62.77 -9.69 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.546 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 0.5 OUTLIER -99.98 27.4 5.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.64 123.07 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.659 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.619 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 98.5 t -63.56 -35.54 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 tt -61.79 -35.78 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.646 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.04 -41.78 85.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.56 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.69 -39.84 81.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.543 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.712 ' HB3' HD22 ' B' ' 286' ' ' LEU . 0.4 OUTLIER -64.04 -36.21 83.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.1 tpp -67.84 -36.78 80.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.607 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 14.8 mt -63.8 -35.17 79.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.3 -34.69 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -76.69 -6.44 52.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.84 27.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -67.83 97.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.21 5.22 40.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -105.82 164.45 11.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -98.25 142.94 29.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.605 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.32 161.52 40.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.538 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.627 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 4.5 tm-20 -123.21 103.02 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.533 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.49 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.3 m -82.38 127.51 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 2.4 pt-20 -119.56 138.42 53.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.557 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.16 130.7 31.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.48 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.0 m -123.84 129.64 51.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.634 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.75 161.03 8.56 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -46.5 -45.96 18.32 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.845 2.364 . . . . 0.0 112.088 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' GLU . 60.0 mt-30 -92.77 6.33 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.634 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -36.37 -37.93 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.603 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.608 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 7.2 tp10 -63.5 -50.27 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.6 tm-20 -55.64 -52.8 62.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.593 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.401 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -54.55 -49.95 69.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.774 ' O ' HD12 ' A' ' 76' ' ' LEU . 2.3 tp -64.24 -44.28 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.91 99.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.601 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.49 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.423 ' CG2' HD21 ' A' ' 23' ' ' LEU . 58.5 t -66.94 -41.92 88.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -64.82 -41.1 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.605 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.499 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -64.22 -37.06 86.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.482 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 19' ' ' PRO . 5.2 mp -72.52 -36.94 68.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.544 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -69.95 -32.91 71.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.628 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 85' ' ' SER . 60.8 m-80 -82.51 -3.6 56.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 170' ' ' ARG . . . . . 0.544 ' C ' HD12 ' B' ' 171' ' ' ILE . 43.0 ttp180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 171' ' ' ILE . . . . . 0.544 HD12 ' C ' ' B' ' 170' ' ' ARG . 1.7 mp -110.45 134.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.5 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.532 ' CZ ' ' OE2' ' B' ' 392' ' ' GLU . 9.8 mmt180 -68.46 134.86 50.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -146.08 143.7 29.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.539 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 8.4 mp -80.48 118.55 72.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -72.51 106.41 2.08 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.786 2.324 . . . . 0.0 112.141 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -82.97 -27.41 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 177' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' B' ' 366' ' ' ILE . . . -147.01 106.29 3.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.574 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.34 134.64 20.14 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.873 2.382 . . . . 0.0 112.138 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 143.53 165.91 11.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 4.9 m -121.42 139.37 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -144.43 142.13 30.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 3.3 mp -126.55 126.76 69.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -173.77 171.14 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -82.74 162.66 21.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -83.76 130.96 10.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -127.84 132.85 49.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.741 0.305 . . . . 0.0 110.541 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.606 179.899 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 202' ' ' THR . . . . . 0.4 HG23 ' O ' ' B' ' 202' ' ' THR . 1.3 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.788 0.328 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 0.539 HD12 ' H ' ' B' ' 203' ' ' LEU . 0.5 OUTLIER -59.64 125.01 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.629 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.813 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 61.3 m-20 -156.87 68.38 4.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.603 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.62 ' O ' ' N ' ' B' ' 209' ' ' ARG . 45.8 Cg_endo -72.06 -50.92 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.802 2.335 . . . . 0.0 112.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -50.65 -49.55 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.502 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 20.1 mt -80.03 -37.37 34.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.813 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 73.4 mm-40 -75.21 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.569 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 209' ' ' ARG . . . . . 0.62 ' N ' ' O ' ' B' ' 205' ' ' PRO . 0.0 OUTLIER -44.66 -52.46 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.475 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.08 -39.19 85.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.489 ' CZ ' HD12 ' B' ' 309' ' ' LEU . 0.0 OUTLIER -53.63 -38.04 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' B' ' 212' ' ' LEU . 90.8 mt -68.06 -53.85 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 27.3 m -54.56 -53.58 52.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.51 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.9 -36.55 88.13 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.52 -41.54 65.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 110.491 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.659 ' O ' ' N ' ' B' ' 220' ' ' ALA . 2.4 tt -55.48 -53.45 56.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 79.6 mm-40 -52.57 -34.74 51.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.501 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 218' ' ' GLU . . . . . 0.468 ' CD ' ' O ' ' B' ' 218' ' ' GLU . 0.5 OUTLIER -76.24 -35.34 59.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.18 -51.09 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.659 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.95 -50.68 70.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.459 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 97.1 m-20 -62.19 -36.38 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.586 ' CD ' HH11 ' B' ' 304' ' ' ARG . 3.0 tt0 -68.37 -40.01 81.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -70.25 -47.66 60.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 224' ' ' ARG . . . . . 0.431 ' HD2' HH21 ' B' ' 224' ' ' ARG . 34.4 ttm105 -59.1 -43.2 91.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.465 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 225' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' B' ' 221' ' ' ASN . 6.6 mpt_? -69.7 -34.69 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -49.27 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 227' ' ' SER . . . . . 0.723 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 5.8 p -70.43 -49.59 47.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.549 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -44.62 -29.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.553 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 229' ' ' ARG . . . . . 0.403 HH21 ' HD3' ' B' ' 229' ' ' ARG . 0.9 OUTLIER -81.13 -39.37 25.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.47 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' B' ' 233' ' ' GLY . 3.0 m-85 -56.15 -40.18 73.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.589 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -45.27 -35.41 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -69.34 -23.21 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 233' ' ' GLY . . . . . 1.021 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -126.79 -101.66 1.19 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 1.021 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -6.21 -133.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.474 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.681 ' NE2' HG23 ' B' ' 238' ' ' THR . 0.0 OUTLIER -130.47 -166.44 1.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.48 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -82.45 -36.39 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' B' ' 241' ' ' ILE . 12.4 tm-20 -67.12 -46.96 72.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.681 HG23 ' NE2' ' B' ' 235' ' ' GLN . 6.1 p -58.25 -39.01 78.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.65 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -82.97 -34.39 26.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 240' ' ' ALA . . . . . 0.499 ' O ' HD12 ' B' ' 244' ' ' LEU . . . -76.58 -30.85 57.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.536 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.903 HG23 ' N ' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -68.82 -65.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.591 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.903 ' N ' HG23 ' B' ' 241' ' ' ILE . 27.9 m-85 -54.62 -67.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' B' ' 242' ' ' PHE . 21.8 t70 -32.17 -53.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.534 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 21' ' ' MET . 88.7 mt -68.05 -34.78 77.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.551 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.62 ' N ' ' O ' ' B' ' 242' ' ' PHE . 6.5 t80 -65.7 -37.08 85.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 64.3 m -49.4 -39.64 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.64 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.664 ' CE1' ' CZ ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -61.2 -33.93 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.628 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 1.074 HD23 ' N ' ' B' ' 249' ' ' LEU . 0.1 OUTLIER -57.11 -41.51 79.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.68 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 1.074 ' N ' HD23 ' B' ' 248' ' ' LEU . 16.4 tp -75.69 -39.09 58.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 250' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' B' ' 247' ' ' HIS . 95.6 p -68.93 -19.55 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.835 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 42.1 p-10 -50.21 120.0 4.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 252' ' ' THR . . . . . 0.405 ' H ' HG23 ' B' ' 252' ' ' THR . 26.7 p -52.42 3.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.591 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.704 ' H ' ' C ' ' B' ' 251' ' ' ASP . 0.1 OUTLIER -77.06 -54.52 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 23.8 mt -66.57 -37.04 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.602 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.515 ' NH1' ' CD1' ' B' ' 258' ' ' LEU . 0.0 OUTLIER -59.27 -46.08 89.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 256' ' ' ARG . . . . . 0.619 ' HE ' ' HA ' ' B' ' 256' ' ' ARG . 3.0 mmp_? -66.58 -40.48 88.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.67 -53.53 30.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.673 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.575 HD22 HG12 ' B' ' 272' ' ' VAL . 1.1 mt -62.22 -47.55 83.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.672 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 259' ' ' PHE . . . . . 0.587 ' CD2' ' NH1' ' B' ' 256' ' ' ARG . 12.1 t80 -61.76 -35.13 77.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.693 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.52 98.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.697 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.52 -40.88 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 83.7 t -70.08 -35.31 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.24 -14.3 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -96.63 -17.5 20.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 123.71 16.49 3.35 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 46.7 t -92.45 160.83 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.502 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 11.6 t -100.06 148.82 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.473 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -57.34 -45.21 84.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.524 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.62 -44.83 9.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.439 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.85 -39.52 16.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.533 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.522 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -53.55 -45.86 70.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.605 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.693 ' O ' HG23 ' B' ' 276' ' ' ILE . 21.6 m -65.22 -37.12 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.582 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.431 ' N ' HG23 ' B' ' 272' ' ' VAL . 59.5 tttt -68.99 -41.8 77.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 40.5 p -73.18 -50.36 22.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 271' ' ' ALA . 49.4 t -50.21 -59.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.693 HG23 ' O ' ' B' ' 272' ' ' VAL . 26.9 pt -54.99 -38.73 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.613 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.477 ' N ' HG13 ' B' ' 276' ' ' ILE . 31.8 tt0 -68.63 -39.79 80.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.665 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -69.87 -37.48 76.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 279' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 1.5 m-85 -75.12 -35.37 61.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.519 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.16 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.461 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' B' ' 281' ' ' GLU . 0.0 OUTLIER -69.96 -55.55 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.14 -41.51 99.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 279' ' ' PHE . 3.2 m-85 -64.98 -46.29 82.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.603 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.43 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -56.28 -20.58 19.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 53' ' ' LEU . 23.4 tp -51.9 154.06 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.436 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 287' ' ' SER . . . . . 0.587 ' N ' ' HG ' ' B' ' 286' ' ' LEU . 66.6 m -94.83 -41.83 9.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.705 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 0.3 OUTLIER -60.22 122.71 15.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.611 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -74.07 -27.49 60.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -59.02 -31.81 69.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.658 HD12 HD22 ' A' ' 53' ' ' LEU . 1.3 mm? -117.15 -40.69 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.538 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.707 ' N ' HD23 ' B' ' 286' ' ' LEU . 9.0 tttp -50.64 -46.74 58.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -40.87 69.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.433 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' B' ' 297' ' ' ASP . 0.7 OUTLIER -52.54 -27.67 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -44.59 -44.38 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.479 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -52.21 -38.98 49.92 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.59 ' HB2' ' O ' ' B' ' 294' ' ' ARG . 0.1 OUTLIER -53.27 -42.16 66.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 0.0 110.421 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -49.24 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.414 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -43.18 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.337 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.592 ' HB3' HG21 ' B' ' 333' ' ' THR . . . -58.1 -41.89 84.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.309 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -38.2 90.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.42 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -57.35 -48.25 81.91 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 303' ' ' GLN . . . . . 0.758 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -52.86 -39.94 63.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 0.0 110.501 179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.758 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 10.3 mtp180 -69.11 -39.83 78.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.41 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 305' ' ' LEU . . . . . 0.436 ' O ' HD23 ' B' ' 309' ' ' LEU . 1.0 OUTLIER -64.33 -44.41 91.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.351 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.77 -38.43 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.364 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 307' ' ' PHE . . . . . 0.486 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.0 m-85 -70.71 -42.95 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 308' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' B' ' 310' ' ' ASP . 37.2 m80 -71.3 -29.83 65.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.467 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.489 HD12 ' CZ ' ' B' ' 211' ' ' ARG . 0.3 OUTLIER -45.27 -19.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 310' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' B' ' 307' ' ' PHE . 0.1 OUTLIER -122.24 115.52 22.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.533 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.461 ' HB2' HG21 ' B' ' 344' ' ' VAL . 7.9 ptm180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.736 0.303 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 323' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -173.22 167.79 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.541 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.51 150.36 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.706 ' HB3' HG13 ' B' ' 346' ' ' VAL . 0.8 OUTLIER -89.58 113.95 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.553 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.644 HG22 ' CG2' ' B' ' 347' ' ' VAL . 23.1 t -114.72 102.31 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.629 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -139.23 148.98 43.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -29.72 70.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.515 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.77 135.98 35.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 1.111 HD23 ' H ' ' B' ' 330' ' ' LEU . 2.0 pt? -90.13 138.71 31.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 331' ' ' SER . . . . . 0.523 ' O ' ' OG1' ' B' ' 334' ' ' THR . 6.9 t -144.77 134.74 23.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.576 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.79 -38.13 66.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.592 HG21 ' HB3' ' B' ' 300' ' ' ALA . 0.9 OUTLIER -53.12 -47.83 68.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.529 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 334' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' B' ' 331' ' ' SER . 68.7 p -58.35 -48.47 80.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.433 HD11 HD22 ' B' ' 343' ' ' LEU . 0.4 OUTLIER -55.21 -41.91 72.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.615 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -75.98 8.88 2.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -106.77 -37.82 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.562 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.417 HD23 ' O ' ' B' ' 334' ' ' THR . 0.5 OUTLIER -106.71 132.35 20.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.633 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.62 124.9 10.24 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.773 2.316 . . . . 0.0 112.119 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.81 -23.25 66.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -37.18 86.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -82.13 -9.56 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' B' ' 343' ' ' LEU . 22.2 tp -77.21 116.98 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' B' ' 322' ' ' ARG . 2.5 t -116.43 18.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.519 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 345' ' ' GLY . . . . . 0.48 ' C ' HG23 ' B' ' 346' ' ' VAL . . . 151.36 177.73 25.45 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.706 HG13 ' HB3' ' B' ' 325' ' ' LEU . 35.7 t -155.69 144.34 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.697 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 347' ' ' VAL . . . . . 0.644 ' CG2' HG22 ' B' ' 326' ' ' VAL . 31.2 m -141.06 131.61 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.672 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 28.4 t -120.59 152.54 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.611 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 349' ' ' ARG . . . . . 0.608 ' NE ' ' O ' ' B' ' 372' ' ' ALA . 7.4 mmm-85 -92.36 -43.9 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -139.99 93.07 2.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -142.38 155.9 25.9 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -104.36 142.66 34.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.711 0.291 . . . . 0.0 110.599 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.2 10.87 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.55 9.42 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.594 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 355' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' B' ' 358' ' ' ALA . 89.7 p -74.94 169.3 18.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.704 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -62.41 -51.59 66.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.591 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 357' ' ' ALA . . . . . 0.948 ' O ' HG23 ' B' ' 361' ' ' VAL . . . -67.25 -36.85 82.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.553 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 358' ' ' ALA . . . . . 0.464 ' HB2' ' OG ' ' B' ' 355' ' ' SER . . . -59.74 -42.68 93.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.635 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 1.9 tt -68.67 -32.21 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.536 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -29.9 34.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.948 HG23 ' O ' ' B' ' 357' ' ' ALA . 91.4 t -66.65 -45.81 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.468 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.405 HH21 ' HD3' ' B' ' 362' ' ' ARG . 14.6 ttp-105 -65.55 -42.58 91.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.56 72.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.623 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 364' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 364' ' ' LEU . 13.7 tp -65.07 -34.0 77.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.32 13.0 56.69 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 366' ' ' ILE . . . . . 0.963 HG13 ' HD2' ' B' ' 367' ' ' PRO . 3.4 tp -90.44 143.91 30.02 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 367' ' ' PRO . . . . . 0.963 ' HD2' HG13 ' B' ' 366' ' ' ILE . 54.5 Cg_endo -73.51 127.41 11.74 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.872 2.382 . . . . 0.0 112.146 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 67.3 m -147.39 150.8 35.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.36 151.07 21.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.442 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 0.8 OUTLIER -133.18 164.25 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.486 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 105.43 0.38 40.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 372' ' ' ALA . . . . . 0.608 ' O ' ' NE ' ' B' ' 349' ' ' ARG . . . -67.52 117.95 10.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.754 0.311 . . . . 0.0 110.505 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.07 35.33 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.455 ' HB ' HD11 ' B' ' 379' ' ' LEU . 16.9 mm -104.76 129.43 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.568 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -70.76 116.0 41.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.468 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 376' ' ' PRO . . . . . 0.561 ' HD3' ' NH2' ' B' ' 349' ' ' ARG . 51.7 Cg_exo -47.9 -34.05 21.36 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.875 2.383 . . . . 0.0 112.102 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 43.7 t -51.28 -45.08 61.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 378' ' ' VAL . . . . . 0.739 ' O ' ' CD2' ' B' ' 380' ' ' HIS . 61.7 t -77.22 -29.62 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.633 ' O ' ' C ' ' B' ' 380' ' ' HIS . 86.3 mt -70.99 -16.91 62.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.868 ' ND1' ' N ' ' B' ' 381' ' ' ARG . 10.1 p80 18.69 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.868 ' N ' ' ND1' ' B' ' 380' ' ' HIS . 6.9 ptp180 -135.06 24.15 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 382' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.0 OUTLIER -60.88 159.32 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 31.7 m -77.18 131.35 38.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.555 HD21 HD22 ' B' ' 379' ' ' LEU . 95.8 mt -121.36 145.8 47.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 385' ' ' ILE . . . . . 0.742 HG23 ' O ' ' B' ' 385' ' ' ILE . 19.7 tt -142.08 106.89 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 2.5 m -100.61 156.45 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.404 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.648 ' O ' ' N ' ' B' ' 391' ' ' GLY . 64.6 t0 -140.64 83.65 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -44.12 -46.5 8.07 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -53.55 -44.76 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 390' ' ' ARG . . . . . 0.428 ' HB2' ' OD2' ' B' ' 387' ' ' ASP . 4.0 mtm180 -100.21 2.91 43.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 37.87 54.54 1.89 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 392' ' ' GLU . . . . . 0.532 ' OE2' ' CZ ' ' B' ' 172' ' ' ARG . 9.8 mm-40 -129.85 160.02 34.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.373 . . . . 0.0 110.599 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.94 116.14 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 1.9 mp -114.87 176.73 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.626 ' O ' ' C ' ' B' ' 396' ' ' ASP . 18.3 m -133.74 122.95 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' B' ' 395' ' ' VAL . 2.7 p30 19.31 56.05 0.18 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.528 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.618 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 42.7 Cg_endo . . . . . 0 C--N 1.305 -1.725 0 C-N-CA 122.869 2.379 . . . . 0.0 112.203 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.608 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.444 ' O ' ' HG2' ' A' ' 1' ' ' MET . 9.3 t -82.67 159.33 22.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.649 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.512 ' O ' HD12 ' A' ' 76' ' ' LEU . 62.0 t -133.29 120.79 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.459 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.46 ' HA ' HD11 ' A' ' 76' ' ' LEU . 5.0 pttp -127.85 172.96 10.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -162.39 132.73 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.8 m -78.73 128.91 34.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.714 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.5 t -129.59 124.46 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.461 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -81.06 127.26 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -90.13 105.93 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.0 p -83.41 56.99 3.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 63.29 22.77 13.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HG3' ' H ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -163.94 103.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.53 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.665 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 1.6 tp -65.63 -4.61 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.456 ' H ' ' HG3' ' A' ' 12' ' ' LYS . . . 151.01 -71.19 0.3 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtt -169.26 103.99 0.37 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.807 0.337 . . . . 0.0 110.604 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 51.21 -104.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.21 -4.73 3.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.733 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 2.1 mpt_? -42.89 -58.97 3.36 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.573 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.733 ' HD3' ' HB2' ' A' ' 18' ' ' ARG . 50.4 Cg_exo -48.37 -49.69 13.85 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.878 2.386 . . . . 0.0 112.155 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.691 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -64.44 -45.15 88.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.504 ' SD ' ' C ' ' A' ' 21' ' ' MET . 12.5 tmm? -66.86 -40.46 87.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.609 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -63.26 -37.73 88.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD21 HG23 ' A' ' 79' ' ' VAL . 1.1 mm? -50.26 -44.94 53.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -38.3 72.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.643 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.16 -35.1 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.68 HD22 ' CE1' ' A' ' 30' ' ' PHE . 95.7 mt -68.19 -40.36 82.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.8 ttm -56.72 -33.21 66.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -81.44 -33.02 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.564 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.93 -35.33 31.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CE1' HD22 ' A' ' 26' ' ' LEU . 8.0 m-85 -103.0 156.27 17.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.822 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 61.0 t0 -99.07 95.16 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.685 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.741 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 167.65 156.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.13 129.36 47.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.404 ' CG2' ' HB1' ' A' ' 75' ' ' ALA . 84.0 t -106.61 134.88 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.601 ' O ' ' OE1' ' A' ' 66' ' ' GLU . 3.1 mp -136.44 137.71 40.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.623 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 36' ' ' LEU . 8.3 mp -108.76 150.48 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -148.01 134.43 19.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.437 HD22 ' NH2' ' A' ' 61' ' ' ARG . 1.1 t30 -90.33 155.94 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 52.1 p-10 -52.6 -27.56 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.7 OUTLIER -67.75 -10.14 50.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.32 11.98 60.41 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.5 m -85.13 117.07 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.575 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -77.74 103.5 7.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.64 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.6 65.17 6.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -40.41 121.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.81 -10.26 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -99.94 28.62 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -146.57 123.09 11.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.769 HG13 HD21 ' B' ' 248' ' ' LEU . 0.0 OUTLIER -63.51 -35.47 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.515 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.45 -36.6 74.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.64 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.1 -42.31 89.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -58.72 -39.17 80.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.908 ' O ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.11 -34.57 78.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.632 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.547 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 16.0 tpt -70.43 -35.13 73.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.478 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 93.5 mt -65.07 -34.99 79.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.676 ' OD2' HD22 ' B' ' 291' ' ' LEU . 18.5 m-20 -53.44 -34.56 58.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.547 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.458 ' C ' HH11 ' A' ' 61' ' ' ARG . 63.1 m -76.43 -6.7 52.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.17 28.97 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 5.3 pttt -68.96 97.26 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.486 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.77 4.89 39.34 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.458 HH11 ' C ' ' A' ' 57' ' ' SER . 28.4 mtm180 -104.83 166.45 10.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.362 . . . . 0.0 110.551 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' CD ' ' N ' ' A' ' 62' ' ' GLN . 14.5 mm-40 -99.97 141.26 33.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.627 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.05 162.37 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.91 101.77 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.635 HG11 HG11 ' A' ' 79' ' ' VAL . 39.6 t -80.96 130.05 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.601 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 5.3 mp0 -121.77 140.0 52.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.38 131.09 27.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.741 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 87.0 m -121.82 142.17 50.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.15 -175.9 19.59 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.822 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 51.2 Cg_endo -73.13 -37.66 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.811 2.341 . . . . 0.0 112.146 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 74' ' ' GLU . 4.9 mp0 -97.14 2.76 51.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.561 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.752 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 6.2 pm0 -34.88 -40.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.714 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 24.2 tp10 -59.67 -50.5 73.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.51 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' GLN . 31.0 tt0 -57.82 -52.32 65.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.636 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 34' ' ' VAL . . . -55.05 -49.16 72.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.584 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.217 ' O ' HG23 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -65.42 -43.59 90.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.71 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.876 ' O ' HG12 ' A' ' 80' ' ' ILE . . . -62.98 -41.73 99.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.65 99.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.881 HG12 ' O ' ' A' ' 76' ' ' LEU . 1.3 p -66.88 -43.16 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.217 HG23 ' O ' ' A' ' 76' ' ' LEU . 5.4 pt -64.21 -41.07 91.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.462 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.504 ' N ' ' CG1' ' A' ' 80' ' ' ILE . . . -64.7 -35.66 81.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.82 -37.27 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.473 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.665 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 11.0 m-30 -70.27 -32.87 70.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.879 ' ND2' ' O ' ' A' ' 80' ' ' ILE . 66.6 m-80 -80.81 -7.54 59.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.531 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 13.3 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.589 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 170' ' ' ARG . . . . . 0.506 ' N ' HD23 ' B' ' 394' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 12.7 tt -133.83 153.2 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.546 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -96.71 120.08 36.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.626 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -120.43 159.55 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' B' ' 370' ' ' MET . 3.9 mp -79.23 117.13 65.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.05 112.65 3.47 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.819 2.346 . . . . 0.0 112.099 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 176' ' ' ALA . . . . . 0.565 ' O ' ' NH2' ' B' ' 362' ' ' ARG . . . -91.96 -33.61 14.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -146.33 111.53 4.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.51 160.75 0.34 Allowed 'Trans proline' 0 C--N 1.303 -1.852 0 C-N-CA 123.002 2.468 . . . . 0.0 112.089 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 119.8 164.28 12.56 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.58 160.19 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -152.3 139.0 18.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 182' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 5.7 pt -133.56 121.85 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 173.92 177.47 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -76.54 161.99 28.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.64 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -100.83 144.35 16.61 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -129.2 139.55 51.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.438 -179.88 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 202' ' ' THR . . . . . 0.556 ' O ' HG23 ' B' ' 202' ' ' THR . 10.4 t . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.754 0.311 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 1.036 ' H ' HD23 ' B' ' 203' ' ' LEU . 1.0 OUTLIER -91.95 139.03 31.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.514 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.645 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -154.29 100.15 2.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 46.1 Cg_endo -72.06 -14.56 29.06 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.809 2.339 . . . . 0.0 111.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -91.12 -54.56 3.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 207' ' ' LEU . . . . . 0.509 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 2.5 tt -71.04 -39.9 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.645 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 3.5 mm-40 -68.42 -50.63 51.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.601 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 209' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 32.0 ttm105 -53.67 -56.39 17.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.553 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -45.01 92.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.558 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.625 ' CZ ' HD21 ' B' ' 309' ' ' LEU . 0.6 OUTLIER -56.04 -44.34 78.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.47 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.503 HD21 ' HB1' ' B' ' 268' ' ' ALA . 65.8 mt -71.19 -54.67 10.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.492 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 54.2 m -53.62 -52.44 59.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.555 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -56.36 -35.47 65.96 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.63 -39.86 66.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.528 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' B' ' 220' ' ' ALA . 48.8 mt -57.69 -54.1 50.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 1.4 mp0 -50.99 -32.2 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.517 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.34 -31.25 60.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.556 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -95.13 -48.16 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.604 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.41 -52.19 65.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 88.1 m-20 -64.99 -33.33 75.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.554 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.552 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.6 OUTLIER -65.23 -37.52 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.619 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -47.1 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.529 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 33.6 ttm105 -61.08 -40.5 93.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 225' ' ' ARG . . . . . 0.493 ' O ' ' HG3' ' B' ' 229' ' ' ARG . 7.0 mtp180 -69.95 -36.27 75.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.463 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.618 ' CE1' ' NH1' ' B' ' 304' ' ' ARG . 0.1 OUTLIER -57.05 -47.66 80.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.589 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 1.4 p -61.82 -48.67 79.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.497 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -42.56 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 229' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' B' ' 225' ' ' ARG . 1.5 mtm180 -76.92 -47.53 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.562 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.748 ' CD2' HG21 ' B' ' 238' ' ' THR . 0.2 OUTLIER -57.24 -51.14 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.591 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 231' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -56.12 -38.15 70.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.82 -17.28 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.495 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 233' ' ' GLY . . . . . 0.996 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -131.6 -92.62 0.57 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.996 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -22.6 -125.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.793 0.33 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.565 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 29.5 tt0 -133.02 165.64 24.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.643 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 236' ' ' LYS . . . . . 0.565 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 49.5 tttt -63.8 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -45.13 -44.55 10.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.633 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.748 HG21 ' CD2' ' B' ' 230' ' ' PHE . 28.9 m -57.94 -54.04 51.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 239' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -55.62 -44.02 76.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 240' ' ' ALA . . . . . 0.402 ' CB ' ' NH1' ' A' ' 18' ' ' ARG . . . -55.33 -48.17 74.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.648 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' B' ' 356' ' ' GLN . 85.1 mt -66.69 -54.37 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.476 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.72 ' CZ ' ' HB2' ' B' ' 336' ' ' ALA . 7.0 m-30 -58.22 -51.11 71.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -47.43 -37.96 12.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.656 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 0.548 ' O ' HD23 ' B' ' 244' ' ' LEU . 4.7 tt -68.01 -41.78 81.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.582 ' OH ' ' CG ' ' B' ' 297' ' ' ASP . 22.3 m-30 -71.88 -41.59 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 70.5 m -53.38 -42.53 67.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 247' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -76.48 -29.31 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.769 HD21 HG13 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -72.53 -60.62 2.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.611 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.481 HD13 HD21 ' B' ' 301' ' ' LEU . 60.1 tp -54.91 -35.89 64.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 95.9 p -81.46 -13.56 58.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.942 ' O ' ' N ' ' B' ' 253' ' ' ARG . 64.4 t0 -62.48 113.7 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 252' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' B' ' 252' ' ' THR . 0.3 OUTLIER -43.79 9.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.942 ' N ' ' O ' ' B' ' 251' ' ' ASP . 2.9 ttt-85 -81.73 -57.67 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 254' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 0.5 OUTLIER -62.37 -42.02 99.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.465 ' HG2' ' CE2' ' B' ' 259' ' ' PHE . 14.7 ttm-85 -60.23 -43.05 96.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 256' ' ' ARG . . . . . 0.451 ' NH2' ' CB ' ' B' ' 260' ' ' ALA . 0.0 OUTLIER -61.06 -42.19 98.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.464 ' OE1' ' CE1' ' B' ' 279' ' ' PHE . 27.6 mt-10 -57.01 -50.64 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.646 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.5 HD13 HG12 ' B' ' 272' ' ' VAL . 35.9 mt -57.19 -60.63 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 259' ' ' PHE . . . . . 0.636 ' N ' ' CD1' ' B' ' 259' ' ' PHE . 3.4 m-30 -53.45 -36.69 61.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 260' ' ' ALA . . . . . 0.451 ' CB ' ' NH2' ' B' ' 256' ' ' ARG . . . -60.42 -39.8 88.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.623 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.28 -46.05 43.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.18 -46.49 94.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -61.7 -12.75 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -88.14 -20.94 24.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 120.64 24.14 2.66 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 30.4 t -111.44 165.72 11.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.49 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 267' ' ' VAL . . . . . 0.57 HG13 ' H ' ' B' ' 270' ' ' TRP . 10.2 p -97.88 147.49 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.638 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.635 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -57.85 -46.11 85.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.439 ' H ' HG22 ' B' ' 267' ' ' VAL . 0.4 OUTLIER -41.39 -52.26 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 270' ' ' TRP . . . . . 0.57 ' H ' HG13 ' B' ' 267' ' ' VAL . 7.1 m95 -83.96 -32.6 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -58.32 -47.88 82.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.61 HG22 ' O ' ' B' ' 268' ' ' ALA . 20.5 m -71.14 -36.56 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.572 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.424 ' N ' HG23 ' B' ' 272' ' ' VAL . 1.2 tmmm? -69.04 -44.76 72.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 274' ' ' THR . . . . . 0.606 ' O ' ' N ' ' B' ' 278' ' ' LYS . 98.4 m -72.49 -49.18 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 271' ' ' ALA . 79.7 t -57.85 -56.76 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.496 HG22 ' O ' ' B' ' 272' ' ' VAL . 2.9 tp -58.11 -40.29 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' B' ' 276' ' ' ILE . 0.4 OUTLIER -76.29 -40.83 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 278' ' ' LYS . . . . . 0.606 ' N ' ' O ' ' B' ' 274' ' ' THR . 25.0 ttpp -59.9 -39.89 86.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 279' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' B' ' 282' ' ' GLN . 2.2 m-85 -79.86 -26.59 40.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -69.36 -13.27 62.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' B' ' 281' ' ' GLU . 0.2 OUTLIER -81.29 -46.32 14.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 282' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 279' ' ' PHE . 13.9 pt20 -59.85 -43.51 94.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.625 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.538 ' N ' ' CG ' ' B' ' 282' ' ' GLN . 47.3 m-85 -65.95 -35.06 79.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -76.87 -17.86 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -91.89 -17.17 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.997 HD21 ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -52.34 158.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 287' ' ' SER . . . . . 0.558 ' N ' ' HG ' ' B' ' 286' ' ' LEU . 30.7 t -83.8 -48.83 9.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.64 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.997 ' O ' HD21 ' B' ' 286' ' ' LEU . 32.5 t70 -52.23 117.44 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.615 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 289' ' ' ASN . . . . . 0.513 ' HA ' ' HB3' ' B' ' 292' ' ' LYS . 9.0 t30 -73.37 -41.27 63.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.94 -38.54 56.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.676 HD22 ' OD2' ' A' ' 56' ' ' ASP . 1.7 mp -87.68 -40.5 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' B' ' 293' ' ' GLU . 0.0 OUTLIER -36.46 -40.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.485 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 293' ' ' GLU . . . . . 0.53 ' N ' ' HG3' ' B' ' 292' ' ' LYS . 34.4 tp10 -52.5 -39.5 61.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.414 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' B' ' 291' ' ' LEU . 24.9 mtm105 -45.58 -41.93 10.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.319 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -51.13 -47.65 61.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.232 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -59.38 -39.79 95.23 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.582 ' CG ' ' OH ' ' B' ' 245' ' ' TYR . 28.1 m-20 -63.64 -43.48 96.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.288 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.74 -49.22 73.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.236 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -56.78 -41.59 77.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.154 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.816 ' CB ' HG21 ' B' ' 333' ' ' THR . . . -70.1 -35.5 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.133 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.481 HD21 HD13 ' B' ' 249' ' ' LEU . 0.5 OUTLIER -61.9 -43.28 99.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.219 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -56.16 -44.27 88.78 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 303' ' ' GLN . . . . . 0.783 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -62.77 -40.32 96.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.216 179.707 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.783 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 6.5 ttt180 -62.38 -41.9 99.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.214 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.91 -33.58 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.262 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 306' ' ' LEU . . . . . 0.662 ' O ' HD23 ' B' ' 306' ' ' LEU . 2.3 tt -62.8 -39.62 94.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.52 -42.18 92.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.357 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 308' ' ' HIS . . . . . 0.476 ' N ' ' ND1' ' B' ' 308' ' ' HIS . 1.7 m80 -75.08 -29.19 60.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.391 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.625 HD21 ' CZ ' ' B' ' 211' ' ' ARG . 0.3 OUTLIER -60.63 -17.36 46.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.52 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 310' ' ' ASP . . . . . 0.633 ' OD2' ' O ' ' B' ' 306' ' ' LEU . 0.0 OUTLIER -115.01 113.57 24.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.584 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.592 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.443 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.762 0.315 . . . . 0.0 110.614 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 176.58 157.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.04 144.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.517 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.705 HD13 ' N ' ' B' ' 326' ' ' VAL . 0.8 OUTLIER -95.86 119.92 35.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.705 ' N ' HD13 ' B' ' 325' ' ' LEU . 47.2 t -117.11 106.44 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.604 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.86 155.17 50.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 328' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 4.8 p-10 -65.8 -26.31 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -151.16 125.0 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.534 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.502 HD22 HG11 ' B' ' 346' ' ' VAL . 15.6 tp -75.19 123.73 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.501 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 69.5 p -125.91 136.81 53.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -52.18 -40.87 62.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.816 HG21 ' CB ' ' B' ' 300' ' ' ALA . 11.9 t -52.42 -43.17 64.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 334' ' ' THR . . . . . 0.548 ' N ' HG23 ' B' ' 333' ' ' THR . 91.5 m -58.95 -50.45 74.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.598 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' B' ' 337' ' ' GLU . 5.7 mp -55.26 -41.96 72.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 336' ' ' ALA . . . . . 0.72 ' HB2' ' CZ ' ' B' ' 242' ' ' PHE . . . -65.54 7.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.534 ' H ' ' C ' ' B' ' 335' ' ' LEU . 25.8 tt0 -107.87 -39.49 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.479 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -116.4 118.39 37.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -47.28 158.87 0.49 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.83 2.353 . . . . 0.0 112.061 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -69.48 -12.04 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.485 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -70.67 -40.74 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -21.19 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.507 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' B' ' 343' ' ' LEU . 34.0 tp -88.22 98.33 11.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.544 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.43 HG22 ' O ' ' B' ' 323' ' ' PHE . 19.9 m -115.08 10.07 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -177.07 155.15 17.45 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.502 HG11 HD22 ' B' ' 330' ' ' LEU . 16.1 t -138.53 142.75 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.866 0.365 . . . . 0.0 110.465 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 91.5 t -143.86 117.26 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' B' ' 370' ' ' MET . 66.2 t -110.61 149.28 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 349' ' ' ARG . . . . . 0.447 HH11 ' C ' ' B' ' 374' ' ' ILE . 6.7 mtp-105 -88.69 -39.18 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.525 ' O ' ' O ' ' B' ' 351' ' ' GLY . 5.3 p-10 -139.19 -102.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.525 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 51.82 162.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -86.67 160.49 18.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -86.86 -5.91 58.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.64 -0.39 37.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.1 150.76 2.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.576 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 356' ' ' GLN . . . . . 0.515 ' HB2' HD11 ' B' ' 241' ' ' ILE . 10.3 pt20 -65.16 -48.71 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.58 92.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.06 -40.99 77.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.2 mt -71.27 -32.56 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.85 -51.91 62.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.609 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.464 HG23 ' N ' ' B' ' 362' ' ' ARG . 16.1 m -60.58 -44.34 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.459 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.565 ' NH2' ' O ' ' B' ' 176' ' ' ALA . 11.1 ttm-85 -56.89 -53.28 59.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -66.34 -27.5 67.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 364' ' ' LEU . . . . . 0.731 HD23 HD12 ' B' ' 366' ' ' ILE . 40.6 tp -72.4 -28.93 63.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.474 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.01 33.84 6.77 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 366' ' ' ILE . . . . . 0.731 HD12 HD23 ' B' ' 364' ' ' LEU . 4.0 mt -112.82 125.53 29.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.589 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.21 132.43 18.71 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.786 2.324 . . . . 0.0 112.195 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 35.6 m -142.75 134.73 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 1.5 t -130.06 146.97 33.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.551 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' B' ' 174' ' ' LEU . 0.0 OUTLIER -133.6 157.54 45.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.597 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 102.7 -8.49 54.61 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.2 113.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.522 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -104.37 44.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.447 ' C ' HH11 ' B' ' 349' ' ' ARG . 4.9 tp -124.44 140.72 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.426 ' OE1' ' NH1' ' B' ' 349' ' ' ARG . 4.8 mm100 -73.7 112.79 17.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 376' ' ' PRO . . . . . 0.635 ' HG3' HG12 ' B' ' 326' ' ' VAL . 50.3 Cg_exo -49.0 -25.34 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.775 2.316 . . . . 0.0 112.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 58.5 m -49.85 -32.37 14.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 378' ' ' VAL . . . . . 0.45 ' O ' ' CE1' ' B' ' 380' ' ' HIS . 3.1 t -85.37 -28.31 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.708 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.713 ' O ' ' O ' ' B' ' 380' ' ' HIS . 4.0 mm? -65.82 -22.88 66.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.713 ' O ' ' O ' ' B' ' 379' ' ' LEU . 3.0 p80 -6.43 -114.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.651 ' N ' ' ND1' ' B' ' 380' ' ' HIS . 7.0 mtt180 -88.14 17.09 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 382' ' ' ARG . . . . . 0.437 ' HB2' ' CE1' ' B' ' 380' ' ' HIS . 16.3 tpt180 -74.87 144.99 43.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 16.5 m -70.42 123.68 22.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 49.1 tp -116.63 142.53 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.441 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 385' ' ' ILE . . . . . 0.654 ' O ' HG13 ' B' ' 385' ' ' ILE . 0.1 OUTLIER -139.58 101.97 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 386' ' ' VAL . . . . . 0.685 HG22 HD12 ' B' ' 393' ' ' LEU . 29.1 t -92.94 157.23 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' B' ' 391' ' ' GLY . 57.9 t0 -141.61 78.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -40.9 -53.64 3.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -41.84 -57.03 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.48 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 390' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' B' ' 391' ' ' GLY . 4.6 tpp180 -96.18 7.14 47.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.528 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 37.45 54.85 1.68 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.3 156.06 33.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.594 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.685 HD12 HG22 ' B' ' 386' ' ' VAL . 3.1 tp -129.94 111.19 12.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.467 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.506 HD23 ' N ' ' B' ' 170' ' ' ARG . 52.3 mt -108.01 173.92 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.54 ' O ' ' C ' ' B' ' 396' ' ' ASP . 3.2 p -142.21 120.58 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.54 ' C ' ' O ' ' B' ' 395' ' ' VAL . 1.1 m-20 28.01 58.12 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 397' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 C--N 1.304 -1.768 0 C-N-CA 122.812 2.341 . . . . 0.0 112.118 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.559 HG22 ' OG1' ' A' ' 68' ' ' THR . 68.5 p -81.92 159.11 23.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.535 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.706 HG21 ' OE2' ' A' ' 72' ' ' GLU . 73.4 t -133.48 116.8 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.504 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -124.02 173.22 8.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -162.84 133.53 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.486 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 t -79.04 130.51 35.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 80' ' ' ILE . 58.6 t -131.25 123.79 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.599 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.17 126.98 31.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.0 mm -90.23 104.54 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.4 57.09 3.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.423 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.5 t30 62.69 22.72 13.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.491 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.675 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -162.35 101.54 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.524 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.762 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.36 -6.57 10.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.51 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.75 -45.89 0.83 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.686 ' O ' ' C ' ' A' ' 16' ' ' HIS . 5.8 tpt -179.47 151.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.722 0.296 . . . . 0.0 110.655 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.686 ' C ' ' O ' ' A' ' 15' ' ' MET . 3.2 t-160 -4.71 -66.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -168.12 2.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.489 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -48.39 -55.49 18.74 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 18' ' ' ARG . 52.6 Cg_exo -47.58 -48.17 16.27 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 122.881 2.388 . . . . 0.0 112.219 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -65.65 -43.21 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.489 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -41.63 90.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -63.17 -37.87 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.938 HD11 HG23 ' A' ' 79' ' ' VAL . 2.1 mp -49.23 -45.34 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.575 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.615 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 12.3 m-85 -57.83 -39.53 77.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.562 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.14 -34.91 64.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.575 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.652 ' HG ' ' HD1' ' A' ' 30' ' ' PHE . 5.3 tt -69.19 -39.02 78.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.4 ttp -58.58 -30.09 66.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.5 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.615 ' OE1' ' O ' ' A' ' 24' ' ' PHE . 3.3 mt-30 -83.64 -31.94 25.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.53 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.25 -28.13 41.75 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.77 ' CD1' ' OE1' ' A' ' 74' ' ' GLU . 7.6 m-85 -110.01 148.12 32.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.66 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 60.0 t0 -91.86 99.01 11.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.573 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 162.99 152.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -98.7 130.5 45.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.045 ' C ' HD22 ' A' ' 35' ' ' LEU . 7.1 p -107.4 131.94 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.045 HD22 ' C ' ' A' ' 34' ' ' VAL . 2.7 mm? -133.12 137.02 46.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.5 mp -107.63 150.44 26.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.58 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.44 HH21 ' HD2' ' A' ' 37' ' ' ARG . 17.1 mtm105 -146.63 136.37 23.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.707 ' ND2' ' SD ' ' A' ' 54' ' ' MET . 15.8 m-20 -93.15 155.07 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.12 -28.16 16.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.494 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.447 ' OE2' ' N ' ' A' ' 40' ' ' GLU . 1.4 mm-40 -68.26 -10.53 55.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.1 11.97 59.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -84.8 116.56 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 43' ' ' GLU . 2.9 pt-20 -77.48 103.76 7.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.651 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.76 65.14 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -40.43 121.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.13 -9.65 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -100.45 29.0 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.03 123.23 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.672 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 14.5 p -63.2 -35.52 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.681 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.401 HG21 ' OE1' ' B' ' 282' ' ' GLN . 3.0 pt -61.5 -37.37 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.58 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.69 -42.28 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.545 HD21 ' HB1' ' A' ' 20' ' ' ALA . 6.4 mp -58.47 -38.73 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.577 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -65.47 -35.75 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.707 ' SD ' ' ND2' ' A' ' 38' ' ' ASN . 1.9 tmt? -68.73 -36.09 77.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.587 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD11 HD23 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -63.76 -35.27 80.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.623 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.99 -34.74 57.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.624 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.4 p -76.69 -6.48 52.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.498 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.19 29.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.567 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -69.2 96.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.539 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.94 4.99 38.83 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -105.87 163.94 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -97.32 143.81 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 38' ' ' ASN . 41.0 pt -130.95 162.3 39.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -124.24 100.71 6.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.671 HG11 HG11 ' A' ' 79' ' ' VAL . 44.0 t -80.5 128.45 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -120.73 138.63 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.69 130.3 29.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.558 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.559 ' OG1' HG22 ' A' ' 2' ' ' THR . 41.3 m -123.44 128.77 50.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.531 ' O ' ' CG ' ' A' ' 72' ' ' GLU . . . 142.32 160.7 8.45 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.06 -44.47 23.22 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.87 2.38 . . . . 0.0 112.077 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 1.098 ' HB3' ' HG2' ' A' ' 74' ' ' GLU . 1.7 mm100 -93.27 5.94 49.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.706 ' OE2' HG21 ' A' ' 3' ' ' VAL . 1.3 pp20? -37.46 -37.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 8.6 tp10 -63.25 -53.34 54.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.479 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 1.098 ' HG2' ' HB3' ' A' ' 71' ' ' GLN . 1.2 pp20? -54.98 -50.17 69.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.999 ' N ' ' OE1' ' A' ' 74' ' ' GLU . . . -55.86 -50.64 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.635 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.762 ' O ' HG12 ' A' ' 79' ' ' VAL . 2.9 tt -64.34 -43.81 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.688 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.45 99.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.635 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.25 96.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.605 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.938 HG23 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -66.72 -42.02 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.542 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 1.0 OUTLIER -64.68 -41.61 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.51 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.45 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.84 -37.08 86.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.505 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.45 -37.36 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 4.8 m-85 -69.75 -32.23 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.535 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 85' ' ' SER . 14.2 m-20 -82.37 -4.3 57.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.5 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.521 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 91.0 mt -125.65 134.28 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.557 ' CD ' ' H ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -88.11 107.63 18.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.788 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -107.48 164.79 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.764 ' N ' HD12 ' B' ' 174' ' ' LEU . 5.7 mp -80.01 119.1 75.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.59 115.65 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.77 2.314 . . . . 0.0 112.145 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 176' ' ' ALA . . . . . 1.022 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -92.75 -36.66 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.461 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.3 107.6 6.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.6 145.56 9.0 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.9 2.4 . . . . 0.0 112.124 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 179' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 136.17 168.59 11.53 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 12.5 p -124.79 139.56 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.498 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -142.21 144.5 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 182' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 23.1 pt -130.92 129.7 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 173.11 175.58 0.11 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.605 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.02 167.66 21.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.576 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -105.92 128.82 9.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 186' ' ' TRP . . . . . 0.42 ' CB ' ' CD1' ' B' ' 323' ' ' PHE . 8.8 t90 -115.92 118.31 32.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.483 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.861 0.362 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 8.3 mp -54.1 126.06 21.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.623 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 14.2 p-10 -155.92 49.54 0.42 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.445 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.623 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 53.9 Cg_exo -47.15 -54.42 5.06 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.792 2.328 . . . . 0.0 112.157 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -48.87 -51.16 31.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 10.9 tp -75.97 -34.19 59.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.502 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.581 ' HG2' HG21 ' B' ' 262' ' ' VAL . 1.8 tp10 -71.77 -65.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.389 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 209' ' ' ARG . . . . . 0.604 ' HG2' ' N ' ' B' ' 210' ' ' GLU . 0.2 OUTLIER -45.1 -46.87 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 210' ' ' GLU . . . . . 0.604 ' N ' ' HG2' ' B' ' 209' ' ' ARG . 15.5 tm-20 -64.59 -38.64 91.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.573 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.482 HH11 HD12 ' B' ' 309' ' ' LEU . 9.9 mtp180 -58.98 -43.69 91.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.548 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.402 ' HG ' HD13 ' B' ' 258' ' ' LEU . 0.1 OUTLIER -65.26 -53.04 50.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.568 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 213' ' ' THR . . . . . 0.597 ' O ' ' OE1' ' B' ' 217' ' ' GLU . 36.6 p -50.91 -48.62 60.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.477 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -66.94 -34.34 86.77 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 215' ' ' ALA . . . . . 0.82 ' HB1' HD22 ' B' ' 309' ' ' LEU . . . -72.6 -45.84 57.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.748 0.308 . . . . 0.0 110.577 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.613 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.8 OUTLIER -59.57 -50.3 74.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.597 ' OE1' ' O ' ' B' ' 213' ' ' THR . 1.2 mp0 -52.94 -31.85 42.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.492 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 218' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' B' ' 222' ' ' GLU . 2.4 tp10 -77.13 -33.55 56.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.458 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.29 -49.09 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -58.58 -49.07 78.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 74.5 m-20 -67.43 -31.63 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.718 ' HG3' ' CE1' ' B' ' 226' ' ' TYR . 40.9 tt0 -67.79 -39.3 84.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.17 -39.27 75.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.45 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 224' ' ' ARG . . . . . 0.467 HH21 ' HD2' ' B' ' 224' ' ' ARG . 43.6 ttm105 -69.79 -38.15 76.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 225' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' B' ' 221' ' ' ASN . 22.8 mtp180 -81.93 -33.76 30.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.464 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.718 ' CE1' ' HG3' ' B' ' 222' ' ' GLU . 3.3 m-85 -68.45 -49.81 57.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 227' ' ' SER . . . . . 0.635 ' CB ' ' CG ' ' B' ' 242' ' ' PHE . 51.4 p -62.05 -31.47 71.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.46 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -46.64 73.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.46 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 229' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 226' ' ' TYR . 5.0 ptm180 -77.87 -43.0 31.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.488 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' B' ' 238' ' ' THR . 0.6 OUTLIER -51.62 -60.25 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 231' ' ' ALA . . . . . 0.759 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -46.89 -41.8 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.45 -25.26 65.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.476 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -96.18 -46.53 2.59 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -91.3 -156.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.596 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.428 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 13.7 pt20 -98.46 -176.85 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.637 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 236' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 240' ' ' ALA . 14.3 mttm -61.05 -33.72 73.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.424 ' OE1' ' NE2' ' B' ' 235' ' ' GLN . 88.5 tt0 -42.79 -43.28 3.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.663 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.561 ' O ' ' CG1' ' B' ' 241' ' ' ILE . 4.6 m -69.67 -44.99 69.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.694 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 239' ' ' ALA . . . . . 0.759 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -71.88 -14.78 62.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 240' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 236' ' ' LYS . . . -82.94 -35.25 26.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.839 HG13 ' H ' ' B' ' 242' ' ' PHE . 8.6 pt -72.28 -62.24 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.904 ' CG ' ' N ' ' B' ' 243' ' ' ASP . 0.1 OUTLIER -48.59 -62.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.904 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 12.2 t0 -38.36 -43.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 0.475 HD22 HH22 ' B' ' 294' ' ' ARG . 0.5 OUTLIER -68.15 -61.21 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.502 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.586 ' CZ ' ' HB3' ' B' ' 297' ' ' ASP . 8.3 m-85 -59.85 -45.13 93.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 36.2 t -41.33 -44.09 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.515 ' NE2' ' CZ ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -70.26 -29.82 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.575 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.797 ' C ' HD13 ' B' ' 248' ' ' LEU . 2.7 tm? -62.14 -59.59 4.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.613 ' N ' HD13 ' B' ' 248' ' ' LEU . 67.6 mt -54.39 -44.0 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 77.3 p -69.9 -24.2 63.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.718 ' C ' ' H ' ' B' ' 253' ' ' ARG . 31.7 t0 -53.44 124.64 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.644 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 2.8 m -55.86 8.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.718 ' H ' ' C ' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -82.28 -37.9 25.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.533 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 254' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 3.8 mm? -78.39 -37.22 44.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.663 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -69.7 -44.28 70.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.665 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 256' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' B' ' 260' ' ' ALA . 34.6 ptt180 -66.41 -40.54 89.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' B' ' 256' ' ' ARG . 19.5 mt-10 -63.34 -48.29 78.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' B' ' 254' ' ' LEU . 12.6 mt -61.53 -61.5 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 260' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' B' ' 256' ' ' ARG . . . -62.07 -41.65 98.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.25 -42.09 99.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 262' ' ' VAL . . . . . 0.581 HG21 ' HG2' ' B' ' 208' ' ' GLU . 92.8 t -63.21 -33.18 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -20.41 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.68 -21.15 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.38 20.07 2.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 266' ' ' SER . . . . . 0.457 ' O ' HG22 ' B' ' 262' ' ' VAL . 73.6 m -89.92 151.67 21.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.693 0.282 . . . . 0.0 110.683 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 267' ' ' VAL . . . . . 0.559 HG12 ' H ' ' B' ' 269' ' ' GLU . 54.3 t -99.95 144.8 11.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.601 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -44.22 -29.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.556 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.559 ' H ' HG12 ' B' ' 267' ' ' VAL . 1.8 mp0 -59.12 -53.99 52.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 270' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' B' ' 274' ' ' THR . 0.4 OUTLIER -81.42 -30.23 33.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.582 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.547 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -58.09 -54.56 45.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.654 ' O ' HG23 ' B' ' 276' ' ' ILE . 16.4 m -64.9 -37.11 79.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.44 ' N ' HG23 ' B' ' 272' ' ' VAL . 69.6 tttt -73.92 -47.46 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.485 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 274' ' ' THR . . . . . 0.401 ' N ' ' O ' ' B' ' 270' ' ' TRP . 97.8 m -61.63 -55.18 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.529 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 271' ' ' ALA . 77.8 t -48.37 -63.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.654 HG23 ' O ' ' B' ' 272' ' ' VAL . 31.2 pt -53.88 -41.33 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.562 ' N ' HG13 ' B' ' 276' ' ' ILE . 50.3 tp10 -66.12 -44.8 83.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -61.84 -37.24 83.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 279' ' ' PHE . . . . . 0.448 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 1.2 m-85 -72.69 -31.01 64.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.67 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.1 79.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.669 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -75.75 -46.06 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.613 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 282' ' ' GLN . . . . . 0.401 ' OE1' HG21 ' A' ' 50' ' ' ILE . 38.1 tt0 -60.51 -40.27 90.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.742 ' O ' HD11 ' B' ' 291' ' ' LEU . 3.8 m-85 -59.47 -46.76 87.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.639 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 284' ' ' ALA . . . . . 0.656 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -59.39 -45.46 91.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 285' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -29.99 -41.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.656 ' O ' ' O ' ' B' ' 284' ' ' ALA . 6.1 mp -74.95 166.81 23.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 66.6 m -115.41 -14.4 11.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -42.91 135.19 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.659 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 289' ' ' ASN . . . . . 0.571 ' CG ' ' H ' ' B' ' 290' ' ' TYR . 23.8 p-10 -57.66 -60.88 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.468 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 290' ' ' TYR . . . . . 0.571 ' H ' ' CG ' ' B' ' 289' ' ' ASN . 55.4 t80 -53.67 -25.39 17.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.947 HD13 ' N ' ' B' ' 292' ' ' LYS . 1.2 tm? -70.29 -63.5 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.477 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.947 ' N ' HD13 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -37.9 -39.78 0.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.13 -43.34 53.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.283 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.531 ' NH2' ' OH ' ' B' ' 290' ' ' TYR . 12.6 tpt180 -49.76 -44.5 48.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 295' ' ' ALA . . . . . 0.599 ' HB2' ' HB3' ' B' ' 283' ' ' PHE . . . -57.97 -48.63 79.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.178 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -58.69 -39.65 93.79 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.586 ' HB3' ' CZ ' ' B' ' 245' ' ' TYR . 1.4 m-20 -65.01 -41.85 94.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.391 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 298' ' ' LEU . . . . . 0.503 HD12 ' CE2' ' B' ' 283' ' ' PHE . 0.5 OUTLIER -56.32 -46.05 80.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.361 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 299' ' ' ARG . . . . . 0.547 ' NH1' ' N ' ' B' ' 303' ' ' GLN . 2.1 tpm_? -56.7 -45.76 81.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.159 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.565 ' HB1' ' OG1' ' B' ' 333' ' ' THR . . . -62.95 -39.79 95.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.311 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.553 HD12 ' O ' ' B' ' 297' ' ' ASP . 0.5 OUTLIER -66.52 -40.53 89.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.205 179.729 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.21 -44.14 97.73 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 303' ' ' GLN . . . . . 0.547 ' N ' ' NH1' ' B' ' 299' ' ' ARG . 1.3 tm0? -55.0 -38.81 68.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.268 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.514 ' NE ' ' OE1' ' B' ' 222' ' ' GLU . 0.0 OUTLIER -66.03 -37.66 86.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.348 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 305' ' ' LEU . . . . . 0.513 ' O ' HD23 ' B' ' 309' ' ' LEU . 1.2 tp -65.26 -40.0 93.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.311 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.61 -37.55 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.475 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -45.02 86.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.398 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -73.96 -23.88 59.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.482 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.82 HD22 ' HB1' ' B' ' 215' ' ' ALA . 0.6 OUTLIER -65.04 -21.56 66.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.449 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -133.89 64.5 1.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.494 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 7.6 ptm180 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.687 0.28 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.494 ' HB3' ' O ' ' B' ' 322' ' ' ARG . 50.5 p90 171.83 170.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.561 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' B' ' 384' ' ' LEU . 88.6 mt -97.81 147.38 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.731 ' C ' HD13 ' B' ' 325' ' ' LEU . 2.6 tm? -85.9 118.34 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.689 ' N ' HD13 ' B' ' 325' ' ' LEU . 25.7 t -117.64 103.47 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -139.63 148.37 42.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.468 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 328' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 43.6 p30 -63.64 -31.67 72.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.484 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.582 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 15.8 tm-20 -143.61 128.56 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.601 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.466 ' O ' ' OE2' ' B' ' 329' ' ' GLU . 58.2 mt -83.98 118.95 24.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.612 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 37.2 t -115.16 134.95 54.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.16 -38.12 65.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.62 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.565 ' OG1' ' HB1' ' B' ' 300' ' ' ALA . 10.9 p -61.98 -38.71 89.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.8 m -61.07 -52.82 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.55 ' C ' ' H ' ' B' ' 337' ' ' GLU . 1.3 mp -55.51 -34.08 64.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.537 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.5 16.64 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.626 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.55 ' H ' ' C ' ' B' ' 335' ' ' LEU . 94.8 mt-10 -122.36 -46.48 2.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.882 HD13 ' NH1' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -95.18 114.4 63.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.458 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.67 145.88 8.81 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.822 2.348 . . . . 0.0 112.117 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -71.05 -14.15 62.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.667 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -67.17 -45.32 77.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.882 ' NH1' HD13 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -77.3 -18.56 57.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.573 HD23 ' H ' ' B' ' 345' ' ' GLY . 3.0 tt -73.77 114.15 11.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.524 ' O ' HG12 ' B' ' 344' ' ' VAL . 13.9 t -121.76 8.54 5.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 345' ' ' GLY . . . . . 0.573 ' H ' HD23 ' B' ' 343' ' ' LEU . . . 177.11 171.07 40.29 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 43.5 t -150.1 142.56 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 56.7 t -145.41 123.96 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.499 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.464 HG23 ' N ' ' B' ' 349' ' ' ARG . 0.4 OUTLIER -117.05 156.02 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.634 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 349' ' ' ARG . . . . . 0.464 ' N ' HG23 ' B' ' 348' ' ' VAL . 8.5 ttt85 -90.81 -53.08 4.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.791 ' O ' ' N ' ' B' ' 352' ' ' ALA . 9.9 p30 -132.18 -15.81 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . -52.82 63.01 0.0 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 352' ' ' ALA . . . . . 0.791 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -42.36 174.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 353' ' ' ALA . . . . . 0.725 ' HB1' ' NH1' ' B' ' 362' ' ' ARG . . . -59.97 -34.01 72.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.505 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 354' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 353' ' ' ALA . 0.7 OUTLIER -38.1 -32.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 355' ' ' SER . . . . . 0.419 ' N ' ' O ' ' B' ' 353' ' ' ALA . 72.9 m -57.63 143.9 39.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.593 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -48.07 78.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.477 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 357' ' ' ALA . . . . . 0.844 ' O ' HG23 ' B' ' 361' ' ' VAL . . . -57.57 -44.56 85.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.531 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.15 76.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.07 -33.36 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.538 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 51.0 mtm -82.67 -24.4 33.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.436 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.844 HG23 ' O ' ' B' ' 357' ' ' ALA . 84.9 t -67.76 -49.89 65.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.725 ' NH1' ' HB1' ' B' ' 353' ' ' ALA . 0.2 OUTLIER -67.31 -34.46 77.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.67 -24.23 62.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 364' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' B' ' 364' ' ' LEU . 0.6 OUTLIER -76.17 -21.9 55.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.25 33.59 6.81 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 366' ' ' ILE . . . . . 0.616 ' CG2' ' HD2' ' B' ' 367' ' ' PRO . 38.7 mt -114.88 141.51 26.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.597 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 367' ' ' PRO . . . . . 0.616 ' HD2' ' CG2' ' B' ' 366' ' ' ILE . 51.1 Cg_endo -72.99 129.38 14.18 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.794 2.329 . . . . 0.0 112.05 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 368' ' ' THR . . . . . 0.479 ' OG1' HG11 ' B' ' 361' ' ' VAL . 68.3 m -138.71 144.75 39.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.586 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.27 137.23 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 370' ' ' MET . . . . . 1.022 ' SD ' ' HB2' ' B' ' 176' ' ' ALA . 0.0 OUTLIER -121.3 159.25 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 100.97 -7.02 57.01 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.95 109.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -98.23 32.85 2.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.76 123.89 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.593 ' H ' ' CD ' ' B' ' 375' ' ' GLN . 2.1 mp0 -57.23 140.26 78.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.4 -22.38 21.67 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.826 2.351 . . . . 0.0 112.18 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 96.0 p -60.39 -32.35 71.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 58.4 t -83.21 -32.69 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.587 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.687 ' O ' ' N ' ' B' ' 381' ' ' ARG . 86.5 mt -66.6 -28.68 68.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.596 ' C ' ' O ' ' B' ' 379' ' ' LEU . 2.5 t60 22.44 -83.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.611 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.687 ' N ' ' O ' ' B' ' 379' ' ' LEU . 10.6 ptp85 -145.5 25.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -67.98 174.44 3.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 30.4 m -77.34 124.36 27.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.675 HD12 HG13 ' B' ' 386' ' ' VAL . 0.1 OUTLIER -115.0 130.49 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 385' ' ' ILE . . . . . 0.512 ' N ' HD13 ' B' ' 384' ' ' LEU . 97.1 mt -130.7 97.34 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.526 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 386' ' ' VAL . . . . . 0.675 HG13 HD12 ' B' ' 384' ' ' LEU . 31.5 m -103.63 160.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.544 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.663 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.8 t0 -141.3 83.35 1.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.574 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 388' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -43.5 -46.13 6.98 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 389' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' B' ' 389' ' ' TYR . 0.0 OUTLIER -50.95 -52.97 37.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.506 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 390' ' ' ARG . . . . . 0.406 ' N ' ' CG ' ' B' ' 389' ' ' TYR . 27.5 ttt85 -94.82 -0.33 54.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.556 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 45.52 49.56 11.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -121.06 157.8 29.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.543 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 5.5 tt -129.84 118.35 21.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 85.6 mt -107.34 159.24 16.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.588 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.592 ' O ' ' C ' ' B' ' 396' ' ' ASP . 76.4 t -130.6 114.66 28.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.1 OUTLIER 22.77 60.36 0.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 397' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo . . . . . 0 C--N 1.304 -1.81 0 C-N-CA 122.791 2.327 . . . . 0.0 112.098 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 2' ' ' THR . 2.1 t -84.01 158.79 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.689 HG21 ' OE2' ' A' ' 72' ' ' GLU . 85.9 t -132.69 119.48 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.631 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -127.39 172.05 10.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -161.44 134.74 6.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.539 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.45 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -79.6 129.34 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.665 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.1 t -129.9 123.62 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 5.6 mp0 -80.47 126.38 31.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.1 mt -89.85 104.84 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.0 p -82.89 58.77 4.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.421 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 61.53 22.44 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.424 ' HD2' ' H ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -162.55 101.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.67 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.74 3.43 1.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.489 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.624 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 119.46 62.97 0.27 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.578 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.8 OUTLIER 81.08 -162.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 110.436 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 23.2 t-80 -53.25 -102.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.556 ' N ' ' CG ' ' A' ' 16' ' ' HIS . . . -132.02 -1.38 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.51 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -40.21 -53.56 5.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.674 ' O ' HD23 ' A' ' 23' ' ' LEU . 51.2 Cg_exo -48.22 -51.71 9.6 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.805 2.336 . . . . 0.0 112.115 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -62.97 -44.12 96.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.662 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.475 ' SD ' HD12 ' B' ' 244' ' ' LEU . 0.2 OUTLIER -67.66 -41.4 83.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.498 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -62.98 -37.08 85.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.748 HD21 HG23 ' A' ' 79' ' ' VAL . 1.4 mm? -50.19 -46.57 54.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.526 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.65 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -55.35 -39.23 69.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -74.31 -33.45 63.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.625 HD22 ' CE1' ' A' ' 30' ' ' PHE . 84.9 mt -67.74 -44.19 78.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.498 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.9 mtp -54.73 -33.9 61.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.556 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.65 ' OE1' ' O ' ' A' ' 24' ' ' PHE . 5.7 mp0 -78.92 -33.74 45.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.95 -35.13 31.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.625 ' CE1' HD22 ' A' ' 26' ' ' LEU . 13.9 m-30 -102.09 159.06 15.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 0.0 110.515 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.851 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -102.12 92.09 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.749 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 170.76 158.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.538 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -102.34 128.01 49.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.676 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.04 134.92 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.538 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.862 HD21 ' NE ' ' A' ' 37' ' ' ARG . 3.6 tp -136.5 135.62 38.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.631 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 4.1 mp -106.22 150.82 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.862 ' NE ' HD21 ' A' ' 35' ' ' LEU . 23.2 mtt180 -147.39 135.19 21.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.537 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.426 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 11.4 m120 -91.85 155.94 17.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -52.94 -28.19 22.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 6.7 mp0 -67.76 -11.04 57.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.518 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.49 11.82 59.05 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 38' ' ' ASN . 30.5 p -84.53 116.82 23.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.717 0.294 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -77.91 103.15 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.547 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.645 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.29 65.52 7.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.639 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -40.67 120.96 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.581 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.631 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -62.69 -9.82 10.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -100.18 28.23 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.92 123.38 11.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.57 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' B' ' 248' ' ' LEU . 2.2 p -63.45 -35.87 74.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.403 HG22 ' H ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -61.7 -37.02 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.603 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.645 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.92 -41.62 91.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.58 HD22 ' HB1' ' A' ' 20' ' ' ALA . 88.2 mt -59.33 -38.16 79.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.619 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.911 HD23 ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -65.81 -36.17 82.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.911 ' N ' HD23 ' A' ' 53' ' ' LEU . 3.2 tpp -67.93 -35.76 78.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.9 tt -64.09 -35.38 80.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -53.03 -34.95 58.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.446 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.5 p -76.43 -6.8 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.96 29.4 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 5.8 ptpt -69.65 97.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.599 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.85 5.17 38.9 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.422 HH21 ' HD2' ' A' ' 61' ' ' ARG . 6.9 mmm180 -106.4 165.0 11.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.414 ' OE1' ' OG1' ' A' ' 6' ' ' THR . 12.5 tt0 -97.33 143.81 27.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.693 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -130.56 161.85 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.472 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.693 ' N ' HG13 ' A' ' 63' ' ' ILE . 5.6 mm-40 -124.32 101.07 6.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.35 129.26 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -121.48 139.47 53.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.9 130.57 27.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.601 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.749 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 5.9 p -121.62 141.29 51.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.15 -177.15 19.16 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.851 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.9 Cg_endo -72.16 -37.14 4.92 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.863 2.375 . . . . 0.0 112.18 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' GLU . 50.9 mm-40 -98.26 3.6 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.596 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.689 ' OE2' HG21 ' A' ' 3' ' ' VAL . 1.3 pp20? -36.07 -41.79 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.562 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 17.1 pt-20 -58.62 -49.3 77.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 11.9 tp10 -58.91 -51.9 68.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.53 -49.43 72.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.851 ' O ' HG12 ' A' ' 79' ' ' VAL . 1.7 tt -64.68 -44.05 91.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.505 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.14 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.7 98.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 76' ' ' LEU . 1.0 OUTLIER -66.63 -42.32 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.539 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -64.65 -41.57 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.453 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.506 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.31 -36.77 84.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.513 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.0 -37.58 66.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.443 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -69.67 -32.02 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.656 ' O ' ' HB2' ' A' ' 85' ' ' SER . 80.4 m-20 -82.29 -5.69 58.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.656 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 71.6 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.59 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 170' ' ' ARG . . . . . 0.405 HH21 ' HD3' ' B' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 171' ' ' ILE . . . . . 0.452 HD12 HD11 ' B' ' 374' ' ' ILE . 70.6 mt -89.6 118.23 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -57.51 128.7 38.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.533 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -142.38 157.6 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.589 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.57 112.8 34.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.76 116.75 4.84 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.912 2.408 . . . . 0.0 112.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -90.04 -33.84 16.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.472 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.03 109.17 7.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.34 145.1 8.74 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.853 2.368 . . . . 0.0 112.051 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 179' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 131.98 171.92 12.94 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 9.8 p -129.06 145.06 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -138.36 140.93 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 182' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 25.1 pt -128.4 129.52 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.473 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.547 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 171.77 174.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 184' ' ' GLU . . . . . 0.49 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 25.6 mp0 -72.69 161.17 31.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.619 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -104.29 122.58 7.41 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -118.48 133.07 56.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.75 0.31 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 0.495 ' C ' ' OD1' ' B' ' 204' ' ' ASP . 0.8 OUTLIER -87.56 145.06 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.613 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.938 ' O ' ' CB ' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -154.32 98.19 2.55 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -71.97 -21.47 24.31 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.884 2.39 . . . . 0.0 112.102 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -94.41 -62.26 1.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.02 -37.32 87.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.938 ' CB ' ' O ' ' B' ' 204' ' ' ASP . 1.7 tp10 -68.92 -59.22 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -49.75 -53.54 24.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.01 -39.88 87.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.403 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.535 HH22 ' CD ' ' B' ' 269' ' ' GLU . 2.3 ttt180 -55.57 -39.92 71.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -49.6 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.387 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 52.2 m -53.42 -50.16 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.474 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.45 -37.37 94.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.74 66.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 110.393 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.9 tt -61.46 -50.85 71.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.477 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 68.4 mm-40 -54.36 -38.63 66.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.394 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.14 -34.49 66.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.472 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -84.59 -48.25 9.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.503 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -60.34 -49.23 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 89.3 m-20 -61.7 -36.9 82.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.609 ' OE2' ' CD1' ' B' ' 226' ' ' TYR . 2.6 tm-20 -67.25 -34.6 77.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.412 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.76 -40.0 72.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.442 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 224' ' ' ARG . . . . . 0.6 ' NE ' ' OG ' ' B' ' 246' ' ' SER . 81.6 mtt85 -59.77 -43.9 94.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.501 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 225' ' ' ARG . . . . . 0.405 ' O ' ' HD3' ' B' ' 229' ' ' ARG . 0.6 OUTLIER -73.28 -35.46 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.676 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.2 OUTLIER -57.43 -58.07 9.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.411 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 227' ' ' SER . . . . . 0.636 ' CB ' ' CB ' ' B' ' 242' ' ' PHE . 98.1 p -61.76 -48.26 81.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.476 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -49.49 -40.97 39.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.39 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 229' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' B' ' 225' ' ' ARG . 0.7 OUTLIER -67.96 -42.37 81.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.67 ' O ' ' N ' ' B' ' 234' ' ' ALA . 3.4 m-85 -67.98 -42.16 81.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.61 -38.86 70.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.29 -13.49 2.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 233' ' ' GLY . . . . . 0.967 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -148.31 -65.64 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.967 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -28.83 -125.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.56 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.589 HE22 HG23 ' B' ' 238' ' ' THR . 0.0 OUTLIER -139.61 175.01 9.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -68.79 -20.71 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -54.65 -47.3 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.589 HG23 HE22 ' B' ' 235' ' ' GLN . 4.6 p -71.07 -44.41 65.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -58.57 -41.86 86.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.26 77.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.52 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.657 ' CG2' ' N ' ' B' ' 242' ' ' PHE . 1.7 tt -63.5 -50.13 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.603 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.678 ' CG ' ' N ' ' B' ' 243' ' ' ASP . 0.0 OUTLIER -52.23 -57.67 8.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.678 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -43.35 -42.15 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.514 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 0.577 ' O ' HD23 ' B' ' 244' ' ' LEU . 7.0 tt -75.57 -38.89 58.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.618 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -48.24 81.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 246' ' ' SER . . . . . 0.6 ' OG ' ' NE ' ' B' ' 224' ' ' ARG . 1.4 t -50.67 -46.08 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' B' ' 244' ' ' LEU . 0.0 OUTLIER -68.61 -32.32 72.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.611 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 65.2 tp -66.98 -49.05 66.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.667 HD21 HD21 ' B' ' 301' ' ' LEU . 8.3 mt -70.55 -40.21 73.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 83.7 p -79.8 -1.23 37.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.716 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 0.1 OUTLIER -65.99 125.03 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.559 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 252' ' ' THR . . . . . 0.427 HG23 ' H ' ' B' ' 252' ' ' THR . 0.2 OUTLIER -65.56 -1.66 2.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.55 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.659 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 20.1 mmm180 -78.24 -45.94 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 254' ' ' LEU . . . . . 0.853 ' O ' HD12 ' B' ' 258' ' ' LEU . 2.0 tp -80.73 -33.03 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.45 HH21 ' HD3' ' B' ' 255' ' ' ARG . 21.8 ttp180 -63.26 -49.25 74.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.744 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 256' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' B' ' 257' ' ' GLU . 9.5 ptm180 -64.93 -38.55 91.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' B' ' 256' ' ' ARG . 13.1 mt-10 -52.56 -51.11 61.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.605 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.853 HD12 ' O ' ' B' ' 254' ' ' LEU . 1.2 mt -58.31 -56.08 26.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 259' ' ' PHE . . . . . 0.58 ' N ' ' CD2' ' B' ' 259' ' ' PHE . 6.1 m-30 -57.2 -34.17 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.46 94.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.592 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.11 -43.57 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.638 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 262' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' B' ' 208' ' ' GLU . 75.5 t -66.48 -39.57 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.33 -11.19 5.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.76 -17.23 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.547 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 117.94 17.96 5.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 57.1 m -97.99 159.24 15.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.65 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.42 146.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.619 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' B' ' 269' ' ' GLU . . . -54.97 -49.71 70.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.535 ' CD ' HH22 ' B' ' 211' ' ' ARG . 4.0 mp0 -38.09 -52.74 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.629 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -75.55 -43.33 49.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.89 ' O ' HG12 ' B' ' 275' ' ' VAL . . . -58.15 -44.89 88.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.621 ' O ' HG12 ' B' ' 276' ' ' ILE . 95.1 t -60.08 -37.31 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.586 ' O ' ' CG ' ' B' ' 277' ' ' GLU . 17.9 ttpt -82.94 -33.47 26.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.7 m -70.89 -53.93 13.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.63 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.89 HG12 ' O ' ' B' ' 271' ' ' ALA . 7.2 p -51.97 -58.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.739 ' H ' HG13 ' B' ' 275' ' ' VAL . 1.8 pp -60.08 -44.25 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.586 ' CG ' ' O ' ' B' ' 273' ' ' LYS . 39.8 mm-40 -59.26 -42.82 92.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -67.05 -35.03 78.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -75.91 -24.72 55.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.556 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.13 82.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.5 -28.99 30.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -62.96 -45.54 91.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 6.7 m-30 -69.58 -40.24 76.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.576 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 284' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -58.0 -47.04 84.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.63 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 285' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -32.94 -31.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 284' ' ' ALA . 1.7 mm? -77.32 178.25 7.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.465 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 83.7 p -121.87 -6.78 9.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.622 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' B' ' 292' ' ' LYS . 77.5 m-20 -68.33 108.77 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -60.92 -30.36 70.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -55.32 -42.41 73.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' B' ' 291' ' ' LEU . 0.4 OUTLIER -112.27 -43.88 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.579 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.635 ' N ' ' O ' ' B' ' 288' ' ' ASP . 15.2 tttp -48.65 -52.49 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.94 -40.94 95.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 294' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -56.39 -28.25 58.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 295' ' ' ALA . . . . . 0.516 ' O ' ' HB2' ' B' ' 298' ' ' LEU . . . -42.47 -45.92 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.407 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -43.15 -35.02 2.33 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -58.81 -38.95 79.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.47 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 298' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' B' ' 295' ' ' ALA . 0.8 OUTLIER -50.18 -53.15 29.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.488 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 299' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 5.3 tmm_? -53.12 -42.67 66.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.303 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -68.98 -34.62 75.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.302 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.667 HD21 HD21 ' B' ' 249' ' ' LEU . 7.4 tt -56.93 -45.01 83.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.412 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -57.36 -40.92 92.78 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -37.54 83.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.35 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.455 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 1.7 tpt180 -65.98 -41.62 90.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.342 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 305' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' B' ' 309' ' ' LEU . 0.5 OUTLIER -70.79 -39.98 72.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.391 179.744 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 306' ' ' LEU . . . . . 0.596 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.8 OUTLIER -63.19 -41.05 99.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.322 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -62.63 -45.47 92.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.301 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -76.0 -21.33 57.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.357 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 10.2 tp -64.65 -19.01 65.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.577 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 310' ' ' ASP . . . . . 0.596 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 3.5 m-20 -108.96 116.56 32.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.692 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 9.2 ptm180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.786 0.327 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.692 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 56.3 m-85 -159.79 165.8 31.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.596 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.547 HG13 ' HB3' ' B' ' 183' ' ' ALA . 78.0 mt -107.76 138.6 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.567 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' B' ' 325' ' ' LEU . 21.8 tp -83.99 118.23 23.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' B' ' 376' ' ' PRO . 10.9 t -123.6 87.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -120.53 142.25 49.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 328' ' ' ASP . . . . . 0.486 ' O ' ' OD1' ' B' ' 350' ' ' ASP . 3.0 p-10 -58.38 -29.29 65.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.589 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -144.22 117.03 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.454 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 19.8 tp -85.63 129.29 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.647 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 27.8 t -134.54 141.79 46.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.24 -40.12 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 77.5 m -56.17 -44.88 79.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 79.5 p -71.47 -54.95 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.607 ' O ' HD23 ' B' ' 335' ' ' LEU . 1.1 tt -49.74 -37.92 31.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 336' ' ' ALA . . . . . 0.676 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -71.95 13.85 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' B' ' 335' ' ' LEU . 37.4 tt0 -99.45 -34.6 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.624 ' N ' HD23 ' B' ' 338' ' ' LEU . 0.3 OUTLIER -112.05 151.71 43.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -72.87 141.73 33.98 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.802 2.335 . . . . 0.0 112.117 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -66.59 -14.35 62.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.554 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.781 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 38.9 p-10 -62.13 -44.04 97.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.598 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.781 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 0.1 OUTLIER -80.52 -24.86 39.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.519 HD21 HG23 ' B' ' 346' ' ' VAL . 6.2 tt -67.39 105.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.66 ' O ' HG12 ' B' ' 344' ' ' VAL . 33.5 t -115.44 16.38 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.637 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 170.25 160.45 18.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.519 HG23 HD21 ' B' ' 343' ' ' LEU . 34.9 t -145.67 143.87 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.317 . . . . 0.0 110.604 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 4.2 p -162.48 133.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.478 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.52 HG22 ' SD ' ' B' ' 370' ' ' MET . 10.9 m -123.88 163.01 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -89.37 -48.69 7.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.504 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.613 ' O ' ' C ' ' B' ' 351' ' ' GLY . 3.6 p30 -121.84 -23.2 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.5 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.613 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . -19.4 132.47 0.01 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -78.93 134.37 36.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.571 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.03 -19.65 64.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -94.39 6.8 47.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 355' ' ' SER . . . . . 0.472 ' HG ' ' HB2' ' B' ' 358' ' ' ALA . 84.3 p -70.14 164.98 23.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.584 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -45.18 92.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 357' ' ' ALA . . . . . 0.454 ' O ' HG22 ' B' ' 361' ' ' VAL . . . -69.67 -30.53 68.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.613 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 358' ' ' ALA . . . . . 0.472 ' HB2' ' HG ' ' B' ' 355' ' ' SER . . . -61.61 -46.75 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 46.2 pt -76.71 -21.29 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 360' ' ' MET . . . . . 0.531 ' HG3' HE21 ' B' ' 235' ' ' GLN . 7.4 ttt -63.17 -55.94 20.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.456 ' H ' HG22 ' B' ' 361' ' ' VAL . 4.2 m -66.88 -41.69 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -54.31 -51.37 64.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.674 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -72.76 -22.83 60.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.541 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 364' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 364' ' ' LEU . 32.9 tp -71.74 -29.62 64.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.66 25.2 18.76 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 3.8 mm -106.52 124.04 36.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -47.73 130.68 19.23 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.749 2.3 . . . . 0.0 112.148 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 97.1 m -146.02 143.01 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.513 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 369' ' ' VAL . . . . . 0.585 ' O ' ' SD ' ' B' ' 370' ' ' MET . 2.3 t -124.8 150.98 29.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.585 ' SD ' ' O ' ' B' ' 369' ' ' VAL . 0.0 OUTLIER -130.28 155.79 45.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.621 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 90.46 2.51 73.17 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -49.48 109.59 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 110.507 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -91.03 55.74 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.452 HD11 HD12 ' B' ' 171' ' ' ILE . 1.0 OUTLIER -143.98 130.48 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.484 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.434 ' O ' HD23 ' B' ' 379' ' ' LEU . 26.9 mp0 -68.08 133.46 91.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 376' ' ' PRO . . . . . 0.484 ' HB3' ' O ' ' B' ' 326' ' ' VAL . 51.0 Cg_endo -72.83 -27.56 14.51 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.82 2.347 . . . . 0.0 112.128 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 83.7 p -71.98 -14.83 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.64 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 378' ' ' VAL . . . . . 0.576 HG12 ' O ' ' B' ' 378' ' ' VAL . 47.6 t -100.45 0.24 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.529 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' B' ' 380' ' ' HIS . 3.7 mm? -104.44 4.1 32.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.637 ' C ' ' O ' ' B' ' 379' ' ' LEU . 6.6 t-160 15.79 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' B' ' 379' ' ' LEU . 35.8 ptt180 -144.98 29.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -66.36 169.69 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 93.9 m -77.01 129.19 35.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.609 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' B' ' 384' ' ' LEU . 7.3 mt -127.43 142.98 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 83.2 mt -130.39 102.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.59 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 22.7 t -95.0 132.04 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' B' ' 391' ' ' GLY . 67.5 t0 -124.56 88.04 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 388' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -58.61 -35.89 82.94 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -49.7 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -90.88 -13.36 33.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 59.46 61.93 6.72 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.29 170.12 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.616 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.8 127.04 45.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.519 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' B' ' 397' ' ' PRO . 5.6 mt -112.26 159.93 18.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.706 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 48.2 t -133.8 119.78 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.577 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.6 OUTLIER 22.47 52.72 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.706 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 52.1 Cg_endo . . . . . 0 C--N 1.305 -1.733 0 C-N-CA 122.904 2.403 . . . . 0.0 112.132 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.425 ' HG2' ' H ' ' A' ' 2' ' ' THR . 2.5 ttm . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.425 ' H ' ' HG2' ' A' ' 1' ' ' MET . 5.1 t -83.19 160.7 21.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.558 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 3' ' ' VAL . 3.0 p -134.91 118.88 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -126.36 173.86 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.623 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.699 ' O ' ' CD ' ' A' ' 5' ' ' GLN . 3.9 pp0? -161.98 135.64 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.496 HG22 ' OE2' ' A' ' 8' ' ' GLU . 61.9 m -82.56 125.83 31.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.62 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.582 HG23 ' OE1' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -126.68 125.05 66.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.497 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.522 ' OE1' ' OE1' ' A' ' 62' ' ' GLN . 4.4 mm-40 -81.46 124.89 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.12 HG21 ' O ' ' A' ' 58' ' ' ALA . 15.7 tt -88.52 105.74 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.718 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.5 OUTLIER -82.68 54.0 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 65.27 24.08 12.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.689 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -163.8 96.8 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.712 ' CD1' ' HG2' ' A' ' 19' ' ' PRO . 2.1 pp -61.42 -2.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 151.92 -135.59 5.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.874 0.369 . . . . 0.0 110.468 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.541 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -166.73 78.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.456 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.626 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 70.73 -16.29 0.34 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.52 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.873 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.9 mtp180 -60.82 -37.41 44.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.873 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 30.9 Cg_endo -66.74 -39.48 15.13 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.711 2.274 . . . . 0.0 111.988 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -71.11 -36.81 72.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.2 tpt -76.21 -38.35 56.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -64.39 -34.56 78.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -43.69 64.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.654 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 18.7 m-85 -58.25 -35.48 71.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.453 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.91 -34.93 57.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.647 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.903 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 38.1 mt -69.48 -38.7 77.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.651 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.845 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 5.8 ttt -59.65 -29.42 68.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.632 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -86.45 -29.01 23.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.56 -25.95 37.32 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.903 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.4 p90 -118.96 136.18 54.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.748 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 42.0 m-20 -78.33 111.15 14.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.613 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.79 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 155.76 147.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.44 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -97.81 127.98 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.033 ' C ' HD22 ' A' ' 35' ' ' LEU . 55.2 t -106.34 132.15 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.455 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.033 HD22 ' C ' ' A' ' 34' ' ' VAL . 2.7 mm? -132.83 138.31 47.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.557 HD22 HG22 ' A' ' 65' ' ' VAL . 26.0 mt -108.59 150.22 27.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.532 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.408 HH21 ' HD3' ' A' ' 37' ' ' ARG . 16.2 ttp-105 -149.02 135.15 19.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.674 ' HA ' HG22 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -91.92 155.95 17.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 49.3 p-10 -52.72 -26.79 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 30.7 tt0 -68.41 -9.84 51.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.23 12.04 60.46 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.3 m -85.42 116.87 23.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 110.568 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.9 103.55 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.645 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.6 65.44 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -40.73 121.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.586 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.591 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.06 -10.22 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -99.66 27.84 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.67 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.8 123.79 12.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.495 HG21 HD21 ' B' ' 248' ' ' LEU . 14.9 p -63.67 -35.83 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.6 HD12 ' OE1' ' B' ' 282' ' ' GLN . 0.1 OUTLIER -61.67 -36.62 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.645 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.59 -43.03 90.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.701 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -58.42 -39.27 79.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HG ' ' HB3' ' B' ' 291' ' ' LEU . 7.7 mp -64.12 -36.27 83.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.593 ' O ' ' SD ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -68.71 -36.27 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.643 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.8 tt -63.3 -35.43 80.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.479 ' C ' ' OD2' ' B' ' 288' ' ' ASP . 73.6 m-20 -53.0 -35.1 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.587 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -76.16 -6.78 52.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.638 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.12 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -83.2 29.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.11 97.37 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.943 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 105.16 6.35 39.48 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 1.006 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -106.37 165.71 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.648 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.522 ' OE1' ' OE1' ' A' ' 8' ' ' GLU . 8.2 mm-40 -99.03 143.08 29.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.495 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.674 HG22 ' HA ' ' A' ' 38' ' ' ASN . 23.2 pt -130.84 163.09 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.638 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -124.55 100.71 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.557 HG22 HD22 ' A' ' 36' ' ' LEU . 46.5 t -80.58 127.32 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.531 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -120.0 138.3 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.432 ' O ' HG12 ' A' ' 3' ' ' VAL . . . -137.11 131.35 32.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.555 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.69 129.14 49.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.648 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.489 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.28 161.32 8.72 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -46.55 -45.72 18.93 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.791 2.328 . . . . 0.0 112.201 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' GLU . 25.6 mt-30 -93.07 5.25 52.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.569 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 15.8 pt-20 -35.97 -37.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -63.5 -49.01 75.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.654 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -57.38 -51.76 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.527 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.91 -49.89 70.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -64.86 -43.78 91.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.39 99.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.49 99.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 75' ' ' ALA . 77.8 t -67.35 -42.17 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.653 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.515 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -65.02 -41.23 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.554 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.473 ' N ' ' CG2' ' A' ' 80' ' ' ILE . . . -64.27 -35.47 80.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.508 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -73.42 -37.93 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.9 m-30 -70.07 -32.52 70.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 80' ' ' ILE . 72.2 m-80 -81.43 -6.75 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.555 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 48.6 mm -118.89 132.0 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -86.77 107.47 18.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 1.034 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -115.96 150.25 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.46 118.63 55.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.18 102.0 1.3 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.825 2.35 . . . . 0.0 112.119 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 176' ' ' ALA . . . . . 0.486 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -72.1 -24.91 61.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -155.11 135.31 8.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.583 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -72.68 144.87 40.38 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.798 2.332 . . . . 0.0 112.115 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 143.16 152.17 5.61 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 43.9 t -115.76 134.42 59.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.718 0.294 . . . . 0.0 110.585 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -153.0 150.65 29.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 182' ' ' ILE . . . . . 0.524 HG22 HG22 ' B' ' 385' ' ' ILE . 1.8 pp -127.01 131.44 70.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -169.7 178.89 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.631 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 184' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' B' ' 184' ' ' GLU . 0.3 OUTLIER -96.26 162.06 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -78.82 138.82 21.37 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -146.65 147.05 30.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.742 0.306 . . . . 0.0 110.603 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 2.1 mt -46.75 114.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.604 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 24.6 p-10 -153.41 63.36 4.53 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.607 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 44.8 Cg_endo -71.97 -43.9 1.07 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.836 2.357 . . . . 0.0 112.137 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.02 81.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 207' ' ' LEU . . . . . 0.524 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 10.1 mp -79.18 -44.54 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 68.8 mm-40 -71.63 -56.13 6.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.644 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 209' ' ' ARG . . . . . 0.607 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 4.1 tmt_? -43.65 -52.39 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -68.74 -33.12 73.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.468 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.656 ' NE ' ' CD1' ' B' ' 309' ' ' LEU . 40.4 ttt180 -55.62 -45.19 77.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 9.5 mt -66.67 -49.68 65.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.461 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 213' ' ' THR . . . . . 0.418 ' OG1' ' CZ ' ' B' ' 255' ' ' ARG . 95.4 m -56.3 -52.27 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.42 -37.54 93.36 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -73.02 -44.51 60.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.741 0.305 . . . . 0.0 110.478 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' B' ' 220' ' ' ALA . 39.3 mt -59.56 -57.69 11.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.53 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.542 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 0.7 OUTLIER -49.81 -32.2 13.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 218' ' ' GLU . . . . . 0.505 ' N ' ' HG3' ' B' ' 217' ' ' GLU . 29.9 tt0 -79.18 -31.67 43.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 219' ' ' ALA . . . . . 0.515 ' HB2' ' ND1' ' B' ' 308' ' ' HIS . . . -89.51 -50.55 6.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.47 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.03 -49.55 73.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.522 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' B' ' 225' ' ' ARG . 73.8 m-20 -63.82 -34.79 78.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.493 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.431 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 5.7 tm-20 -70.39 -31.89 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.538 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -58.17 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 224' ' ' ARG . . . . . 0.527 ' NH1' ' OD1' ' B' ' 221' ' ' ASN . 14.0 ptt180 -65.83 -26.21 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 225' ' ' ARG . . . . . 0.74 ' HE ' HH12 ' B' ' 229' ' ' ARG . 20.0 mmm-85 -74.32 -44.21 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' B' ' 222' ' ' GLU . 0.2 OUTLIER -67.58 -44.36 78.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.492 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 227' ' ' SER . . . . . 0.485 ' HB3' ' HB3' ' B' ' 242' ' ' PHE . 90.1 p -59.85 -48.72 80.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.465 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -39.69 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 229' ' ' ARG . . . . . 0.74 HH12 ' HE ' ' B' ' 225' ' ' ARG . 1.1 mpp_? -69.81 -41.77 74.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.53 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.538 ' O ' ' N ' ' B' ' 234' ' ' ALA . 0.1 OUTLIER -65.17 -42.17 93.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.404 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 231' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -54.24 -36.31 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.488 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.3 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -123.54 -60.78 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -58.67 -163.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 110.629 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.497 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 0.8 OUTLIER -94.39 -170.45 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 236' ' ' LYS . . . . . 0.497 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 60.1 tttp -75.38 -38.69 59.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -40.51 -53.43 2.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.538 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.562 HG22 ' SD ' ' B' ' 360' ' ' MET . 21.8 p -50.99 -56.73 11.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 239' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -57.87 -46.97 84.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.546 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 240' ' ' ALA . . . . . 0.683 ' O ' ' OD1' ' B' ' 243' ' ' ASP . . . -61.83 -37.64 85.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.629 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.478 HD13 ' OE1' ' B' ' 356' ' ' GLN . 55.9 mt -73.9 -55.43 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.669 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' B' ' 245' ' ' TYR . 10.3 m-85 -61.63 -63.19 1.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.683 ' OD1' ' O ' ' B' ' 240' ' ' ALA . 7.9 p-10 -36.27 -40.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 0.631 ' N ' ' OD1' ' B' ' 243' ' ' ASP . 18.8 tp -71.16 -41.58 70.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.693 ' HA ' HD22 ' B' ' 248' ' ' LEU . 0.4 OUTLIER -65.29 -40.65 94.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.681 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 29.1 t -47.55 -42.3 23.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' B' ' 251' ' ' ASP . 15.6 t60 -68.51 -24.87 64.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.693 HD22 ' HA ' ' B' ' 245' ' ' TYR . 4.3 mp -65.29 -51.06 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.565 ' HG ' HD11 ' B' ' 301' ' ' LEU . 5.5 mp -61.82 -43.96 97.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 20.4 p -83.99 -6.72 59.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.682 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' B' ' 247' ' ' HIS . 39.9 t0 -49.17 109.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.646 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.89 -17.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.607 HH21 ' HB2' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -75.73 -55.07 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -47.19 86.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.717 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.485 HH12 ' NE ' ' B' ' 209' ' ' ARG . 12.8 ttt85 -57.49 -47.27 82.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 256' ' ' ARG . . . . . 0.658 ' HE ' ' HA ' ' B' ' 256' ' ' ARG . 1.1 tpm_? -51.88 -42.06 62.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -60.17 -45.32 93.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.635 HD23 HG21 ' B' ' 275' ' ' VAL . 14.3 mt -63.12 -46.56 86.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 259' ' ' PHE . . . . . 0.467 ' O ' ' CD1' ' B' ' 259' ' ' PHE . 2.7 t80 -66.11 -34.56 78.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.647 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.97 95.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.18 -37.93 89.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 262' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' B' ' 205' ' ' PRO . 53.5 t -65.02 -38.32 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.25 -11.52 22.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -90.99 -21.1 21.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 118.11 18.25 5.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.7 p -99.87 163.3 12.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 267' ' ' VAL . . . . . 0.533 HG13 ' H ' ' B' ' 270' ' ' TRP . 12.1 p -100.51 148.11 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.49 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.634 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -52.09 -53.23 44.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.531 ' OE1' ' NH2' ' B' ' 211' ' ' ARG . 1.5 mp0 -36.01 -53.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.484 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 270' ' ' TRP . . . . . 0.533 ' H ' HG13 ' B' ' 267' ' ' VAL . 4.3 m95 -83.32 -38.22 22.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.492 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -51.95 -53.65 38.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.614 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.522 HG12 HD13 ' B' ' 258' ' ' LEU . 12.1 m -64.53 -32.49 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.51 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -72.16 -47.79 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.56 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 94.1 m -63.42 -59.29 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.635 HG21 HD23 ' B' ' 258' ' ' LEU . 76.4 t -50.92 -57.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.573 HD13 ' HA2' ' B' ' 302' ' ' GLY . 72.5 mt -54.38 -44.18 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.35 -38.76 88.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -64.07 -36.66 84.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.595 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -35.25 77.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.53 81.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.63 -37.33 79.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 282' ' ' GLN . . . . . 0.6 ' OE1' HD12 ' A' ' 50' ' ' ILE . 3.5 tt0 -65.11 -44.61 88.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 283' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -54.18 -47.0 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.655 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.36 84.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -40.5 -38.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.489 HD13 ' HB3' ' A' ' 53' ' ' LEU . 1.4 mt -64.16 151.33 43.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.596 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.23 -45.29 11.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.648 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.614 ' HB3' HD11 ' B' ' 291' ' ' LEU . 0.4 OUTLIER -41.36 130.3 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 289' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' B' ' 291' ' ' LEU . 0.1 OUTLIER -77.34 -41.11 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.489 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 290' ' ' TYR . . . . . 0.825 ' O ' ' OE2' ' B' ' 293' ' ' GLU . 19.3 t80 -39.94 -27.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.493 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.618 ' O ' ' N ' ' B' ' 294' ' ' ARG . 0.0 OUTLIER -95.84 -49.12 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' B' ' 291' ' ' LEU . 47.9 mttm -31.2 -50.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.387 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 293' ' ' GLU . . . . . 0.825 ' OE2' ' O ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -65.73 -41.37 92.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.444 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' B' ' 291' ' ' LEU . 0.4 OUTLIER -52.85 -35.12 57.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.442 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -46.16 -46.13 17.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.42 -40.88 24.03 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.563 ' HB3' ' CZ ' ' B' ' 245' ' ' TYR . 5.6 m-20 -63.66 -38.25 90.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.409 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -48.5 75.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.351 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 299' ' ' ARG . . . . . 0.536 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 0.2 OUTLIER -51.06 -36.8 41.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.338 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 303' ' ' GLN . . . -65.36 -36.45 84.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.402 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.565 HD11 ' HG ' ' B' ' 249' ' ' LEU . 3.1 tt -52.52 -48.47 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.367 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 302' ' ' GLY . . . . . 0.617 ' O ' HD12 ' B' ' 306' ' ' LEU . . . -60.29 -41.35 98.32 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 303' ' ' GLN . . . . . 0.838 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -70.03 -43.23 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.449 179.751 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.838 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 4.1 mmm180 -65.14 -41.64 94.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.42 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 305' ' ' LEU . . . . . 0.557 ' O ' HD23 ' B' ' 305' ' ' LEU . 0.9 OUTLIER -70.67 -35.81 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.41 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 306' ' ' LEU . . . . . 0.617 HD12 ' O ' ' B' ' 302' ' ' GLY . 9.4 mt -64.21 -39.48 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.44 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 307' ' ' PHE . . . . . 0.672 ' O ' ' CD1' ' B' ' 307' ' ' PHE . 0.1 OUTLIER -67.17 -37.87 84.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.46 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 308' ' ' HIS . . . . . 0.755 ' ND1' ' O ' ' B' ' 304' ' ' ARG . 42.8 m80 -75.51 -28.19 59.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.48 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.678 ' O ' HD12 ' B' ' 309' ' ' LEU . 0.1 OUTLIER -83.62 -10.05 58.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -133.84 71.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.572 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.65 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 10.6 ptm85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.818 0.342 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.65 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 26.1 m-85 -171.64 171.31 5.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' B' ' 184' ' ' GLU . 0.0 OUTLIER -116.19 139.92 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.441 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.601 ' HB3' HG13 ' B' ' 346' ' ' VAL . 2.1 tp -78.83 119.42 22.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.404 HG23 HG22 ' B' ' 324' ' ' ILE . 82.3 t -118.79 95.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.523 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.632 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -137.13 169.86 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 328' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 46.3 p30 -82.62 -26.37 32.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 19.2 tt0 -148.92 127.46 12.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.975 HD23 ' H ' ' B' ' 330' ' ' LEU . 1.5 pt? -80.72 131.93 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.517 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 331' ' ' SER . . . . . 0.525 ' O ' ' OG1' ' B' ' 334' ' ' THR . 47.7 t -138.39 140.35 39.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.69 92.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.487 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 40.5 p -54.55 -44.01 72.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.569 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 334' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' B' ' 331' ' ' SER . 33.2 p -64.96 -48.83 72.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.576 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' B' ' 337' ' ' GLU . 95.1 mt -58.57 -32.85 69.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -66.59 5.75 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' B' ' 335' ' ' LEU . 4.8 mm-40 -99.9 -39.66 8.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.516 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 5.4 mt -107.29 151.42 40.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -73.0 137.82 27.24 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.855 2.37 . . . . 0.0 112.127 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 340' ' ' GLN . . . . . 0.587 ' O ' ' CD ' ' B' ' 340' ' ' GLN . 25.3 tm0? -66.0 -2.1 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.54 -39.55 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.458 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.445 HH21 ' HD3' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -85.06 -17.86 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.46 101.09 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.515 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 27.9 m -118.3 17.33 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.598 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 168.81 153.08 8.09 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.601 HG13 ' HB3' ' B' ' 325' ' ' LEU . 6.7 t -139.24 150.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.578 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 347' ' ' VAL . . . . . 0.486 HG23 HG23 ' B' ' 369' ' ' VAL . 7.3 p -157.83 124.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.482 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 21.6 m -124.52 161.4 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 349' ' ' ARG . . . . . 0.496 ' HD2' HH21 ' B' ' 349' ' ' ARG . 8.4 ttm180 -83.66 -38.74 21.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.472 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.806 ' O ' ' O ' ' B' ' 351' ' ' GLY . 0.0 OUTLIER -133.32 -72.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.645 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.806 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 43.37 129.71 0.0 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 352' ' ' ALA . . . . . 0.589 ' HB3' ' HB3' ' B' ' 355' ' ' SER . . . -62.45 147.06 49.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.384 . . . . 0.0 110.447 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -91.88 -17.15 25.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -101.27 0.78 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 355' ' ' SER . . . . . 0.589 ' HB3' ' HB3' ' B' ' 352' ' ' ALA . 77.8 p -65.71 149.67 49.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 356' ' ' GLN . . . . . 0.478 ' OE1' HD13 ' B' ' 241' ' ' ILE . 19.4 pt20 -55.07 -38.26 67.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.63 90.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.37 82.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 3.4 mm -68.55 -31.88 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 360' ' ' MET . . . . . 0.562 ' SD ' HG22 ' B' ' 238' ' ' THR . 37.1 ttp -65.3 -41.4 94.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 1.5 t -63.48 -41.73 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -59.42 -39.93 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -78.21 -27.76 47.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.42 -34.42 78.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.51 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 91.77 20.44 37.04 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 366' ' ' ILE . . . . . 0.667 HG13 ' HD2' ' B' ' 367' ' ' PRO . 2.4 tp -107.56 138.66 20.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 110.633 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 367' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' B' ' 366' ' ' ILE . 54.8 Cg_endo -73.63 138.6 26.88 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.777 2.318 . . . . 0.0 112.158 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 368' ' ' THR . . . . . 0.408 HG23 ' HB ' ' B' ' 346' ' ' VAL . 85.4 m -146.32 144.7 29.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.527 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 369' ' ' VAL . . . . . 0.486 HG23 HG23 ' B' ' 347' ' ' VAL . 2.2 m -125.38 154.29 33.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 370' ' ' MET . . . . . 1.034 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 10.2 mtp -131.83 161.24 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.637 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 97.67 -5.33 62.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -51.46 111.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 48.9 p-10 -102.53 55.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.545 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 6.4 mt -130.09 135.6 60.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.557 ' N ' ' OE1' ' B' ' 375' ' ' GLN . 0.4 OUTLIER -73.65 118.08 66.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.605 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 376' ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' B' ' 379' ' ' LEU . 52.1 Cg_exo -48.1 -20.84 2.41 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.848 2.365 . . . . 0.0 112.162 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 46.5 t -57.13 -46.81 82.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 378' ' ' VAL . . . . . 0.43 HG12 ' O ' ' B' ' 375' ' ' GLN . 4.0 p -74.54 -34.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' B' ' 381' ' ' ARG . 3.1 mt -62.14 -29.81 70.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.522 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.6 ' C ' ' O ' ' B' ' 379' ' ' LEU . 2.5 m170 22.7 -86.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.516 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' B' ' 379' ' ' LEU . 64.0 mtm-85 -139.38 24.59 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 382' ' ' ARG . . . . . 0.456 ' NH2' ' OD2' ' B' ' 396' ' ' ASP . 13.2 mmt180 -65.08 164.55 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 6.2 m -80.58 126.04 30.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.626 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.746 HD13 ' N ' ' B' ' 385' ' ' ILE . 0.5 OUTLIER -131.71 116.16 16.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.574 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 385' ' ' ILE . . . . . 0.746 ' N ' HD13 ' B' ' 384' ' ' LEU . 9.6 pt -101.04 115.4 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.599 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 88.6 t -94.85 139.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' B' ' 391' ' ' GLY . 52.5 t0 -133.28 85.88 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.533 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.45 -44.32 28.45 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -52.45 -46.07 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.532 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -95.16 -6.11 42.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 46.27 59.93 4.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.98 171.29 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' B' ' 393' ' ' LEU . 0.3 OUTLIER -139.66 128.5 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.516 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.506 ' O ' HD22 ' B' ' 384' ' ' LEU . 1.3 mt -112.21 157.55 20.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.67 ' O ' ' C ' ' B' ' 396' ' ' ASP . 8.8 p -114.55 123.59 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.478 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.67 ' C ' ' O ' ' B' ' 395' ' ' VAL . 48.1 p-10 -3.76 74.3 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.662 ' N ' ' O ' ' B' ' 395' ' ' VAL . 39.6 Cg_endo . . . . . 0 C--N 1.305 -1.76 0 C-N-CA 122.847 2.365 . . . . 0.0 112.181 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptt? . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.451 HG22 ' HB ' ' A' ' 68' ' ' THR . 67.6 p -83.67 158.97 21.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.7 t -132.9 117.66 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.645 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -122.8 174.85 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 1.125 ' NE2' HD21 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -163.12 134.17 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.53 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -82.23 125.54 31.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.707 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -127.2 125.65 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.56 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -82.03 127.36 33.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 13' ' ' LEU . 48.8 mm -89.7 105.13 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 p -82.8 56.47 3.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 62.79 26.19 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.481 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 1.1 ttmp? -167.58 98.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HA ' HD12 ' A' ' 9' ' ' ILE . 2.7 mp -62.56 -3.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.535 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 112.03 25.66 4.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . 1.093 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.6 mtm 83.95 33.22 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.608 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.731 ' O ' ' SD ' ' A' ' 21' ' ' MET . 0.4 OUTLIER -13.42 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.455 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 1.093 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -51.29 -10.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.493 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.839 ' H ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -136.67 -51.98 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.498 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.839 ' HD2' ' H ' ' A' ' 18' ' ' ARG . 51.4 Cg_exo -49.54 -60.34 0.89 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.921 2.414 . . . . 0.0 112.123 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB3' ' HE1' ' A' ' 21' ' ' MET . . . -55.87 -45.38 78.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.731 ' SD ' ' O ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -66.75 -43.86 82.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -60.99 -37.32 82.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 23' ' ' LEU . 17.6 tp -49.39 -47.73 47.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.617 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 16.5 m-85 -55.45 -39.48 70.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.467 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -73.48 -34.38 65.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.52 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.642 HD22 ' CE1' ' A' ' 30' ' ' PHE . 85.3 mt -67.26 -44.04 80.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.628 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.609 ' CE ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -54.86 -34.05 62.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -79.19 -32.76 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.574 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.91 -33.99 31.9 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.642 ' CE1' HD22 ' A' ' 26' ' ' LEU . 16.3 m-85 -103.54 158.88 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.595 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 41.0 t0 -101.44 93.62 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.683 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.609 ' O ' ' CE ' ' A' ' 27' ' ' MET . . . 168.17 156.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.463 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -100.93 129.49 46.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.583 HG23 ' CE ' ' A' ' 27' ' ' MET . 90.6 t -106.62 133.72 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.1 mt -134.19 138.08 44.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.631 HD22 HG22 ' A' ' 65' ' ' VAL . 20.4 mt -107.51 149.92 27.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.484 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.475 HH21 ' HD2' ' A' ' 37' ' ' ARG . 37.6 mtm180 -146.39 135.38 22.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.9 154.84 17.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -27.88 16.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.553 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -68.27 -11.03 58.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.75 11.32 59.27 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.24 117.22 23.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.332 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.25 102.78 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.558 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.639 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -88.66 65.6 7.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -40.98 121.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.617 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.58 -9.07 11.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -100.23 27.24 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -145.94 124.5 12.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.676 ' O ' HD13 ' A' ' 53' ' ' LEU . 7.3 p -63.89 -35.91 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.413 ' N ' HG13 ' A' ' 49' ' ' VAL . 90.2 mt -60.75 -37.52 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.593 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.14 -43.14 92.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD21 ' HE1' ' A' ' 21' ' ' MET . 41.5 tp -57.88 -38.47 75.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.708 ' CD1' ' N ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.3 -36.07 82.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.7 mtt -67.41 -40.3 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 4.1 mt -60.15 -35.74 75.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -52.44 -34.27 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.4 t -77.87 -6.4 54.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.04 29.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 96.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.18 4.66 38.23 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HD3' HH21 ' A' ' 61' ' ' ARG . 7.9 mtm180 -105.35 164.63 11.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 0.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -98.08 143.68 28.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 pt -131.23 162.07 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.595 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.448 ' OE2' ' HB2' ' A' ' 4' ' ' LYS . 19.6 tp10 -124.0 101.36 7.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.631 HG22 HD22 ' A' ' 36' ' ' LEU . 89.0 t -81.05 128.15 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -120.33 138.41 53.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.28 130.85 31.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.525 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.6 t -123.98 128.73 49.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.468 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 32' ' ' ALA . . . 142.64 161.29 8.72 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.67 ' O ' ' OE2' ' A' ' 73' ' ' GLU . 54.7 Cg_exo -46.91 -44.56 22.41 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.839 2.359 . . . . 0.0 112.127 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 74' ' ' GLU . 14.5 mm100 -93.94 5.87 50.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 16.7 pt-20 -37.13 -36.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.671 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.67 ' OE2' ' O ' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -64.6 -49.75 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' GLN . 36.2 tp10 -56.91 -52.12 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.17 -49.45 71.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.125 HD21 ' NE2' ' A' ' 5' ' ' GLN . 6.3 tt -64.7 -44.53 89.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 80' ' ' ILE . . . -62.43 -42.27 99.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.98 99.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.88 -42.74 89.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.548 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.909 HD12 ' NE2' ' A' ' 5' ' ' GLN . 0.8 OUTLIER -64.43 -41.08 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.519 ' N ' ' CG2' ' A' ' 80' ' ' ILE . . . -64.18 -35.59 81.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -73.61 -39.23 64.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.472 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.714 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.02 -24.05 61.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.512 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -89.03 -3.18 58.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.559 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 170' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' B' ' 393' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.48 129.48 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.659 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -84.13 103.18 13.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -101.23 159.62 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.4 119.64 77.52 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.51 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.51 107.13 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.912 2.408 . . . . 0.0 112.195 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 176' ' ' ALA . . . . . 0.459 ' HB1' ' NH2' ' B' ' 362' ' ' ARG . . . -89.44 -34.03 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.608 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 177' ' ' ALA . . . . . 0.524 ' HB3' ' H ' ' B' ' 368' ' ' THR . . . -138.75 102.37 7.77 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.14 135.45 18.88 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.82 2.346 . . . . 0.0 112.143 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 179' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 143.46 171.24 13.63 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 180' ' ' VAL . . . . . 0.526 HG22 ' N ' ' B' ' 181' ' ' ALA . 8.7 p -125.42 159.35 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.301 . . . . 0.0 110.619 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 181' ' ' ALA . . . . . 0.526 ' N ' HG22 ' B' ' 180' ' ' VAL . . . -163.72 147.26 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 182' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 1.4 pp -129.49 128.73 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.617 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 177.78 177.32 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.511 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 184' ' ' GLU . . . . . 0.623 ' H ' ' CD ' ' B' ' 184' ' ' GLU . 2.2 pm0 -81.03 165.99 21.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -99.45 134.05 11.53 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 186' ' ' TRP . . . . . 0.454 ' HB3' ' O ' ' B' ' 324' ' ' ILE . 80.9 t90 -110.57 102.86 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.731 0.301 . . . . 0.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.929 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 70.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.784 0.326 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 0.809 ' N ' HD23 ' B' ' 203' ' ' LEU . 0.1 OUTLIER -82.93 136.04 34.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.712 ' OD1' ' OE2' ' B' ' 208' ' ' GLU . 1.2 p30 -153.49 77.01 6.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.615 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.22 -24.75 3.92 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.789 2.326 . . . . 0.0 112.11 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -78.37 -48.75 14.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.489 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 207' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' B' ' 211' ' ' ARG . 74.9 mt -80.41 -42.98 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.712 ' OE2' ' OD1' ' B' ' 204' ' ' ASP . 0.6 OUTLIER -59.16 -59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.489 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -55.78 -45.33 78.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -68.38 -40.66 81.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' B' ' 207' ' ' LEU . 34.9 mtp180 -55.84 -44.09 77.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.469 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.529 ' CD1' HD13 ' B' ' 258' ' ' LEU . 3.4 mm? -67.83 -50.38 56.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 27.8 m -53.59 -47.99 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.75 -35.7 92.36 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 215' ' ' ALA . . . . . 0.712 ' HB2' HD12 ' B' ' 309' ' ' LEU . . . -68.99 -45.37 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.506 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.74 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.6 OUTLIER -58.46 -42.53 87.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.54 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.626 ' HG2' ' ND2' ' B' ' 221' ' ' ASN . 0.0 OUTLIER -58.83 -27.09 64.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.515 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -92.58 -33.48 14.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.445 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 219' ' ' ALA . . . . . 0.694 ' O ' ' HG3' ' B' ' 222' ' ' GLU . . . -91.17 -36.38 13.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -72.85 -51.76 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.518 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.626 ' ND2' ' HG2' ' B' ' 217' ' ' GLU . 88.8 m-20 -59.32 -44.69 92.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.694 ' HG3' ' O ' ' B' ' 219' ' ' ALA . 0.0 OUTLIER -62.03 -39.13 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.413 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 223' ' ' PHE . . . . . 0.503 ' N ' ' OE2' ' B' ' 222' ' ' GLU . 0.2 OUTLIER -64.04 -52.22 60.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 28.6 ttm105 -66.26 -38.77 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.512 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -66.68 -34.25 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.65 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 10.5 m-30 -59.69 -47.97 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.523 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.72 -48.72 40.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -59.2 -36.89 76.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 229' ' ' ARG . . . . . 0.407 ' NH1' ' CD1' ' B' ' 226' ' ' TYR . 3.6 ttm-85 -66.78 -43.28 84.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -71.07 -40.22 71.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.07 -31.93 61.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -53.76 -18.82 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 233' ' ' GLY . . . . . 0.917 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -157.09 -97.67 0.13 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.917 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . 7.5 -140.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.568 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.484 ' O ' ' OG1' ' B' ' 238' ' ' THR . 2.9 pt20 -128.13 179.21 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -73.23 -30.86 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.04 -35.61 69.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.608 ' O ' HG12 ' B' ' 241' ' ' ILE . 39.9 p -63.26 -56.87 12.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -68.88 -26.97 65.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.43 99.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.692 HG13 ' H ' ' B' ' 242' ' ' PHE . 21.9 pt -73.38 -54.6 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.692 ' H ' HG13 ' B' ' 241' ' ' ILE . 22.8 m-85 -52.97 -65.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 242' ' ' PHE . 19.9 t70 -38.23 -37.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 1.021 ' O ' HD23 ' B' ' 244' ' ' LEU . 4.8 tt -71.51 -42.24 68.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' B' ' 242' ' ' PHE . 2.0 m-85 -68.74 -37.13 79.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 246' ' ' SER . . . . . 0.647 ' O ' HD23 ' B' ' 249' ' ' LEU . 74.0 m -47.42 -47.56 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.601 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.517 ' HA ' ' OG ' ' B' ' 250' ' ' SER . 0.0 OUTLIER -81.46 -20.35 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.626 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 5.2 tt -66.1 -50.4 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.657 HD23 ' H ' ' B' ' 250' ' ' SER . 0.3 OUTLIER -79.65 -36.99 36.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.653 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 250' ' ' SER . . . . . 0.657 ' H ' HD23 ' B' ' 249' ' ' LEU . 27.7 p -67.24 -20.17 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.752 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 53.3 p30 -49.7 133.11 21.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 252' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' B' ' 256' ' ' ARG . 0.2 OUTLIER -58.81 4.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.609 ' H ' ' C ' ' B' ' 251' ' ' ASP . 5.7 mtm-85 -87.54 -43.57 11.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 254' ' ' LEU . . . . . 0.488 HD22 ' HA ' ' B' ' 249' ' ' LEU . 17.8 tp -59.72 -51.93 67.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.619 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' B' ' 250' ' ' SER . 0.0 OUTLIER -66.41 -42.62 87.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 256' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' B' ' 252' ' ' THR . 9.3 tmm_? -55.07 -49.77 70.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.613 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -58.8 -45.27 90.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.582 ' CD2' HG21 ' B' ' 275' ' ' VAL . 29.2 mt -59.92 -54.96 40.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.591 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -57.88 -35.96 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.7 86.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 261' ' ' GLU . . . . . 0.413 ' C ' ' OG ' ' B' ' 266' ' ' SER . 76.9 mm-40 -65.4 -37.59 87.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.517 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 98.1 t -64.33 -38.41 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.598 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -57.67 -18.23 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.524 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -93.52 -24.88 17.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.557 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.47 24.93 1.69 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 266' ' ' SER . . . . . 0.413 ' OG ' ' C ' ' B' ' 261' ' ' GLU . 53.1 p -95.19 158.46 15.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.604 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 28.2 t -104.06 148.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.525 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -49.53 -40.47 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.439 ' CD ' HH12 ' B' ' 211' ' ' ARG . 2.3 mp0 -52.85 -48.63 66.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -82.45 -34.17 28.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.506 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -55.2 -50.89 68.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.741 ' O ' HG23 ' B' ' 276' ' ' ILE . 32.9 m -63.42 -33.8 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.499 ' O ' HG12 ' B' ' 276' ' ' ILE . 30.6 ttpt -73.56 -48.68 31.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 33.9 p -61.08 -53.98 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.582 HG21 ' CD2' ' B' ' 258' ' ' LEU . 53.6 t -49.55 -61.58 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.469 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.741 HG23 ' O ' ' B' ' 272' ' ' VAL . 36.2 pt -53.89 -38.88 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.465 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.65 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 4.3 mm-40 -66.12 -44.08 85.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.01 -37.89 84.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -73.48 -30.35 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.86 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.65 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 5.5 mp0 -69.12 -47.66 64.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 282' ' ' GLN . . . . . 0.426 ' O ' HD12 ' B' ' 286' ' ' LEU . 1.4 mt-30 -64.1 -32.7 74.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.57 ' O ' HD11 ' B' ' 291' ' ' LEU . 0.8 OUTLIER -63.63 -52.52 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 284' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -64.2 -45.49 88.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.565 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 285' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -36.21 -39.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.63 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.718 HD13 HD13 ' B' ' 291' ' ' LEU . 1.0 OUTLIER -67.04 161.69 23.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.575 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 10.6 m -106.88 -24.75 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.46 ' OD2' ' HB3' ' B' ' 286' ' ' LEU . 0.0 OUTLIER -43.88 125.86 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.619 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -65.17 -50.7 64.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.466 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 290' ' ' TYR . . . . . 0.404 ' CE2' ' NE2' ' A' ' 16' ' ' HIS . 5.8 t80 -49.39 -23.19 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.546 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.718 HD13 HD13 ' B' ' 286' ' ' LEU . 0.0 OUTLIER -84.9 -62.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.476 ' H ' HD23 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -38.38 -39.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.482 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -71.97 -47.42 52.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.365 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 291' ' ' LEU . 60.0 mtp180 -59.72 -27.94 66.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.408 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -50.18 -46.2 54.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -47.31 -43.73 19.84 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.491 ' HB3' ' CE1' ' B' ' 245' ' ' TYR . 4.6 m-20 -64.63 -38.96 92.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 110.349 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 298' ' ' LEU . . . . . 0.519 HD12 ' CE1' ' B' ' 283' ' ' PHE . 1.1 tt -54.52 -54.02 46.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.454 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 299' ' ' ARG . . . . . 0.411 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 5.5 tmm_? -52.02 -39.61 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.317 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' B' ' 303' ' ' GLN . . . -65.62 -38.29 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.289 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.494 ' O ' HD13 ' B' ' 301' ' ' LEU . 0.2 OUTLIER -54.26 -46.22 72.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.417 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.96 -41.45 98.65 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 303' ' ' GLN . . . . . 0.542 ' HG2' ' N ' ' B' ' 304' ' ' ARG . 1.2 pt20 -67.62 -39.39 84.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.286 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.542 ' N ' ' HG2' ' B' ' 303' ' ' GLN . 6.5 mmm-85 -66.31 -42.68 87.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.364 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 3.2 tt -69.44 -35.08 75.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.385 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -42.28 97.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.433 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 307' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' B' ' 310' ' ' ASP . 1.4 m-85 -62.95 -43.31 99.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.462 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -69.19 -23.12 63.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.464 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.712 HD12 ' HB2' ' B' ' 215' ' ' ALA . 5.7 tp -62.23 -14.57 39.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 310' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' B' ' 307' ' ' PHE . 0.4 OUTLIER -113.45 118.45 34.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.538 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.581 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.421 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 19.5 mtp85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.76 0.314 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 172.58 148.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.69 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.563 HG12 ' HA2' ' B' ' 185' ' ' GLY . 1.9 pt -113.14 158.38 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.575 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 59.8 mt -89.93 130.7 36.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.654 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 4.1 t -134.4 96.09 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.18 149.03 48.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -63.5 -30.09 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.554 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.16 131.08 38.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.537 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.611 ' O ' HD12 ' B' ' 330' ' ' LEU . 0.3 OUTLIER -84.19 140.46 31.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.54 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 45.8 t -142.74 124.26 14.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.81 -41.36 70.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.414 HG21 ' CB ' ' B' ' 300' ' ' ALA . 90.5 m -59.85 -46.05 90.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 86.4 m -58.19 -53.52 57.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.487 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.667 HD21 HD22 ' B' ' 343' ' ' LEU . 0.4 OUTLIER -54.62 -31.81 57.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.512 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -72.67 16.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' B' ' 335' ' ' LEU . 96.1 mt-10 -109.01 -32.63 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.585 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.438 ' H ' HD12 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -107.87 125.1 32.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.35 148.63 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.867 2.378 . . . . 0.0 112.083 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.17 -10.03 55.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -70.67 -42.0 71.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.564 ' O ' HG23 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -78.8 -26.54 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.556 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.667 HD22 HD21 ' B' ' 335' ' ' LEU . 18.0 tp -66.97 104.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.564 HG23 ' O ' ' B' ' 342' ' ' ARG . 10.7 t -122.33 3.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.522 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 179.79 161.41 26.99 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 96.7 t -141.32 141.0 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 59.4 t -146.32 121.21 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.464 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 69.0 t -119.54 152.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.565 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 349' ' ' ARG . . . . . 0.547 ' HE ' ' C ' ' B' ' 373' ' ' ASP . 1.6 tpt180 -84.66 -40.69 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.61 ' O ' ' C ' ' B' ' 351' ' ' GLY . 5.1 t70 -135.54 -84.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 20.42 62.33 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 352' ' ' ALA . . . . . 0.79 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -83.69 175.54 9.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 110.531 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 353' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 93.75 -170.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.599 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 354' ' ' ASN . . . . . 0.844 ' O ' ' HB3' ' B' ' 358' ' ' ALA . 7.3 p-10 -73.31 -38.93 65.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 355' ' ' SER . . . . . 0.778 ' O ' ' O ' ' B' ' 354' ' ' ASN . 0.1 OUTLIER 36.11 114.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 356' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' B' ' 355' ' ' SER . 5.6 mp0 -38.22 -39.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.3 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 358' ' ' ALA . . . . . 0.844 ' HB3' ' O ' ' B' ' 354' ' ' ASN . . . -58.32 -46.92 85.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 13.9 tt -72.02 -26.21 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -67.01 -49.48 65.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.554 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.407 HG23 ' N ' ' B' ' 362' ' ' ARG . 16.7 m -63.19 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.581 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.507 ' NH1' ' HB1' ' B' ' 358' ' ' ALA . 12.2 mtm-85 -59.05 -52.01 67.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.56 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.48 -27.07 68.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.457 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -30.7 68.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 88.11 29.7 19.34 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 96.5 mt -108.55 126.35 29.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.658 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.53 120.56 4.64 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.818 2.345 . . . . 0.0 112.121 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 368' ' ' THR . . . . . 0.524 ' H ' ' HB3' ' B' ' 177' ' ' ALA . 91.8 m -142.62 145.43 33.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.551 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 19.2 m -141.07 154.33 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.642 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.439 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 6.1 ptp -135.73 171.0 15.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.497 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 84.98 3.76 87.55 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 372' ' ' ALA . . . . . 0.514 ' O ' ' NE ' ' B' ' 349' ' ' ARG . . . -53.6 115.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.752 0.31 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 373' ' ' ASP . . . . . 0.547 ' C ' ' HE ' ' B' ' 349' ' ' ARG . 74.6 m-20 -79.96 28.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.546 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.542 ' N ' ' HE ' ' B' ' 349' ' ' ARG . 6.7 tp -126.08 128.28 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.576 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.596 ' H ' ' CD ' ' B' ' 375' ' ' GLN . 1.3 mp0 -77.49 151.76 80.66 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -72.71 -16.11 26.74 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.892 2.394 . . . . 0.0 112.083 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 28.9 t -64.98 -37.07 86.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.448 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 378' ' ' VAL . . . . . 0.663 HG12 ' O ' ' B' ' 378' ' ' VAL . 24.9 t -92.03 23.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.71 ' O ' ' N ' ' B' ' 381' ' ' ARG . 61.9 mt -125.95 -21.71 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' B' ' 185' ' ' GLY . 2.3 t-160 23.29 -82.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' B' ' 379' ' ' LEU . 9.3 ptp180 -144.28 25.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -65.86 173.48 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.547 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 70.9 p -82.79 127.18 33.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.564 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 4.4 tt -124.68 148.37 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.75 103.26 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 9.3 p -92.21 147.06 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.551 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.649 ' O ' ' N ' ' B' ' 391' ' ' GLY . 66.7 t0 -135.04 76.69 1.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 388' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -48.06 -42.56 23.67 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -49.58 -47.21 49.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.481 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 390' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' B' ' 390' ' ' ARG . 9.8 tpp180 -105.37 -0.19 26.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.649 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 51.98 44.02 55.89 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -112.01 150.12 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.454 ' C ' HD12 ' B' ' 394' ' ' LEU . 3.0 tt -126.49 118.99 26.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.473 HD23 ' HG3' ' B' ' 397' ' ' PRO . 11.1 mp -106.51 150.88 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.586 ' O ' ' C ' ' B' ' 396' ' ' ASP . 58.9 t -122.31 101.99 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.586 ' C ' ' O ' ' B' ' 395' ' ' VAL . 39.0 t70 24.44 59.82 0.39 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.564 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.473 ' HG3' HD23 ' B' ' 394' ' ' LEU . 46.8 Cg_endo . . . . . 0 C--N 1.306 -1.661 0 C-N-CA 122.879 2.386 . . . . 0.0 112.077 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.6 p -83.05 159.04 22.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 3' ' ' VAL . 2.6 p -132.98 119.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.463 ' HD2' HH12 ' A' ' 37' ' ' ARG . 4.9 pttp -127.41 172.4 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.492 ' O ' HG22 ' A' ' 65' ' ' VAL . 59.7 tt0 -161.46 134.04 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.481 ' OG1' ' NE2' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -79.21 128.91 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -129.64 124.03 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.29 127.35 32.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.541 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mm -90.6 105.79 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.667 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.7 p -83.14 57.16 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.473 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 11' ' ' ASN . 38.4 t30 61.18 26.84 16.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.503 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 8.5 ttpt -167.33 98.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.976 ' N ' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.36 -5.26 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.684 ' O ' ' SD ' ' A' ' 15' ' ' MET . . . 153.8 -67.53 0.31 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.684 ' SD ' ' O ' ' A' ' 14' ' ' GLY . 0.5 OUTLIER -152.75 -163.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.704 0.288 . . . . 0.0 110.501 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.705 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 31.1 m80 -43.61 -38.51 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.483 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.878 ' HB3' HH11 ' A' ' 18' ' ' ARG . . . 159.97 5.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.909 ' N ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -53.98 -47.19 97.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.654 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.6 Cg_exo -47.36 -55.75 3.66 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.793 2.328 . . . . 0.0 112.07 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.22 -47.74 82.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.496 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.525 ' SD ' ' O ' ' B' ' 240' ' ' ALA . 41.7 mtm -65.84 -41.64 91.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.474 ' NZ ' ' HB3' ' A' ' 18' ' ' ARG . 48.6 mttp -62.51 -37.63 86.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -50.04 -45.64 52.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.605 ' CE2' ' NE2' ' B' ' 247' ' ' HIS . 2.6 m-85 -55.9 -40.82 73.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -72.0 -35.92 69.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.471 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 22' ' ' LYS . 9.5 mp -66.94 -42.72 84.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 ttp -55.85 -31.42 62.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -83.56 -29.74 27.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.69 -31.75 29.06 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -106.91 153.73 22.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.669 0.271 . . . . 0.0 110.638 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.594 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 59.0 t0 -96.12 95.17 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 167.95 156.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.58 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -101.83 128.25 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.5 t -105.7 134.64 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mp -136.08 137.74 41.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.0 tt -106.84 151.6 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.689 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.463 HH12 ' HD2' ' A' ' 4' ' ' LYS . 54.5 mtm180 -147.92 134.08 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -91.8 155.58 18.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.456 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -52.49 -28.28 19.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.62 -11.46 58.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.76 11.53 59.01 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -84.25 117.48 23.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.352 . . . . 0.0 110.492 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.08 103.19 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.617 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.637 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.18 64.79 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -40.34 121.33 1.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -9.61 12.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 85.1 m-20 -99.77 27.41 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.58 124.18 12.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.27 -35.46 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.9 tt -61.81 -36.5 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.637 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.21 -41.79 89.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.547 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.29 -38.39 80.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.326 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -65.72 -34.0 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.537 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . 1.227 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -70.71 -35.03 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' A' ' 36' ' ' LEU . 51.2 tp -64.51 -34.98 79.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' OD2' ' OD2' ' B' ' 288' ' ' ASP . 5.4 m-20 -53.45 -35.0 60.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -75.99 -7.07 53.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.633 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.06 29.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -69.31 97.3 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.11 6.93 38.92 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.03 164.51 12.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.606 ' NE2' ' O ' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -97.53 142.37 29.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -130.39 161.06 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.639 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.611 ' N ' HG12 ' A' ' 63' ' ' ILE . 17.2 mp0 -123.32 101.44 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.555 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 5' ' ' GLN . 7.9 m -81.37 128.16 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -120.67 138.58 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 3' ' ' VAL . . . -137.52 131.04 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.46 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 9.3 t -123.95 129.43 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.472 ' O ' ' HG2' ' A' ' 72' ' ' GLU . . . 142.19 162.32 9.16 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.83 -45.11 25.3 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.857 2.372 . . . . 0.0 112.059 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 72' ' ' GLU . 21.3 mt-30 -94.3 7.2 46.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.507 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 19.5 pt-20 -38.44 -36.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 14.5 pt-20 -64.3 -49.2 72.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 33.9 tp10 -57.24 -51.95 67.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.655 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.032 ' O ' HG13 ' A' ' 79' ' ' VAL . . . -55.2 -49.26 72.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.957 ' O ' HG22 ' A' ' 79' ' ' VAL . 0.8 OUTLIER -64.83 -44.03 91.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.501 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.83 99.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.97 97.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.45 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.032 HG13 ' O ' ' A' ' 75' ' ' ALA . 2.5 m -66.38 -42.67 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.434 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -64.53 -41.85 93.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.525 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.72 -35.64 81.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.466 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.7 mt -73.85 -38.12 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 13' ' ' LEU . 12.7 m-30 -69.47 -31.6 69.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.564 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.437 ' O ' ' CB ' ' A' ' 85' ' ' SER . 89.6 m-20 -82.37 -4.83 58.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.1 t . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 170' ' ' ARG . . . . . 0.466 HH21 ' HB3' ' B' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 171' ' ' ILE . . . . . 0.687 HD12 HD11 ' B' ' 393' ' ' LEU . 59.6 mt -131.59 130.02 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.79 ' HE ' ' N ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -80.72 113.51 18.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.844 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -116.84 159.07 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 370' ' ' MET . 58.3 mt -74.53 118.55 70.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.496 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 175' ' ' PRO . . . . . 0.404 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 52.7 Cg_endo -73.25 106.12 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.746 2.297 . . . . 0.0 112.131 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 176' ' ' ALA . . . . . 1.091 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -83.86 -36.68 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 177' ' ' ALA . . . . . 0.536 ' HB3' ' H ' ' B' ' 368' ' ' THR . . . -135.84 133.31 19.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.416 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.04 143.27 40.09 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.787 2.325 . . . . 0.0 112.067 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 134.98 161.93 9.59 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.8 p -129.93 148.21 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 0.0 110.523 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -156.64 155.04 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.518 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 182' ' ' ILE . . . . . 0.462 ' O ' ' NH2' ' B' ' 322' ' ' ARG . 4.3 tt -124.89 128.29 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -173.49 175.18 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 184' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' B' ' 382' ' ' ARG . 93.3 mt-10 -85.3 163.74 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -104.78 126.59 8.76 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 186' ' ' TRP . . . . . 0.605 ' C ' ' CD1' ' B' ' 186' ' ' TRP . 0.0 OUTLIER -110.1 159.5 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.719 0.295 . . . . 0.0 110.587 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.572 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 53.3 p . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.751 0.31 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 0.454 ' HG ' ' H ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -71.81 141.29 49.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.436 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 3.4 m-20 -159.31 60.68 1.63 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.617 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.564 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 52.7 Cg_exo -47.6 -30.67 12.71 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.865 2.377 . . . . 0.0 112.122 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -78.49 -52.28 8.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.456 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 207' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 1.9 tp -74.77 -29.76 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.546 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.455 ' HA ' ' OE1' ' B' ' 208' ' ' GLU . 52.9 mm-40 -78.54 -55.97 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 209' ' ' ARG . . . . . 0.564 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 0.2 OUTLIER -50.94 -53.23 34.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.503 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 210' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' B' ' 211' ' ' ARG . 14.8 pt-20 -64.55 -39.15 93.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.501 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.605 ' NH2' ' OE2' ' B' ' 269' ' ' GLU . 14.6 ttt-85 -56.87 -43.23 81.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.471 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.421 HD11 HD12 ' B' ' 258' ' ' LEU . 30.6 mt -66.96 -57.3 7.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 213' ' ' THR . . . . . 0.549 ' O ' ' OE2' ' B' ' 217' ' ' GLU . 77.6 p -49.76 -51.14 41.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -59.02 -36.67 89.45 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.68 -45.34 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.424 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.666 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.6 OUTLIER -56.46 -52.59 64.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.437 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.549 ' OE2' ' O ' ' B' ' 213' ' ' THR . 1.0 OUTLIER -53.6 -30.91 44.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.457 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -75.76 -36.37 59.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.445 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -93.14 -48.93 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -54.94 -49.03 72.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.512 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.601 ' C ' ' HE ' ' B' ' 225' ' ' ARG . 89.9 m-20 -63.78 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.46 ' O ' ' CD1' ' B' ' 226' ' ' TYR . 34.3 tt0 -62.78 -46.62 87.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.499 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -68.35 -43.34 77.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 224' ' ' ARG . . . . . 0.433 HH21 ' HD3' ' B' ' 224' ' ' ARG . 12.2 ttp180 -63.97 -49.14 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.453 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 225' ' ' ARG . . . . . 0.601 ' HE ' ' C ' ' B' ' 221' ' ' ASN . 90.1 mtm180 -66.23 -30.02 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 1.3 m-85 -59.62 -44.24 93.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.562 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 69.4 m -48.96 -40.49 30.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -61.56 -23.95 66.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -76.29 -46.68 26.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.842 ' CE2' ' HB2' ' B' ' 239' ' ' ALA . 0.0 OUTLIER -51.23 -39.45 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -40.34 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 232' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -66.02 -39.54 90.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.588 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 233' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -86.56 -125.59 1.87 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -165.19 41.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.519 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.583 ' OE1' ' HB3' ' B' ' 363' ' ' ALA . 0.0 OUTLIER -111.59 89.74 3.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.621 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -62.47 -20.12 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.514 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -62.23 -45.61 92.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.516 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.413 ' CG2' ' SD ' ' B' ' 360' ' ' MET . 28.6 p -62.0 -54.57 39.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 239' ' ' ALA . . . . . 0.842 ' HB2' ' CE2' ' B' ' 230' ' ' PHE . . . -58.27 -46.15 86.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 240' ' ' ALA . . . . . 0.525 ' O ' ' SD ' ' A' ' 21' ' ' MET . . . -61.37 -45.31 94.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.479 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.85 -52.96 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.523 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' B' ' 245' ' ' TYR . 10.9 m-30 -56.82 -57.07 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.584 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' B' ' 242' ' ' PHE . 4.5 t70 -33.66 -46.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 0.827 ' O ' HD23 ' B' ' 244' ' ' LEU . 1.8 tt -77.65 -39.46 45.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' B' ' 242' ' ' PHE . 8.5 t80 -55.0 -53.31 57.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 83.6 p -52.83 -50.17 64.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.605 ' NE2' ' CE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -67.33 -32.23 73.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.507 ' HG ' HD12 ' B' ' 249' ' ' LEU . 7.4 tp -65.68 -46.34 79.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.577 ' O ' ' NH2' ' B' ' 255' ' ' ARG . 8.7 mp -70.66 -43.32 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.617 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 89.3 p -78.65 -7.49 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.473 ' OD1' ' CZ ' ' B' ' 253' ' ' ARG . 42.0 t0 -46.67 115.94 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 252' ' ' THR . . . . . 0.622 ' OG1' ' NH1' ' B' ' 253' ' ' ARG . 9.7 p -52.27 -12.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.669 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.622 ' NH1' ' OG1' ' B' ' 252' ' ' THR . 0.1 OUTLIER -74.95 -52.58 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.471 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 254' ' ' LEU . . . . . 0.709 HD23 HH22 ' B' ' 255' ' ' ARG . 5.8 tp -59.97 -37.61 80.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.574 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.709 HH22 HD23 ' B' ' 254' ' ' LEU . 0.0 OUTLIER -60.72 -45.94 92.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 256' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' B' ' 260' ' ' ALA . 0.0 OUTLIER -50.17 -41.09 48.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.585 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.425 ' OE2' ' CZ ' ' B' ' 279' ' ' PHE . 51.9 mt-10 -61.77 -45.07 95.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.58 HD22 HG11 ' B' ' 275' ' ' VAL . 0.4 OUTLIER -58.78 -64.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.557 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 259' ' ' PHE . . . . . 0.463 ' CE2' ' OD2' ' B' ' 263' ' ' ASP . 60.2 t80 -55.78 -36.66 67.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.597 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 260' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' B' ' 256' ' ' ARG . . . -62.08 -41.05 97.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.544 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -70.4 -42.59 71.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.592 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.55 -38.12 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 263' ' ' ASP . . . . . 0.463 ' OD2' ' CE2' ' B' ' 259' ' ' PHE . 89.9 m-20 -59.48 -17.35 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.66 -20.8 23.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 119.92 22.48 3.25 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.5 m -98.28 155.97 16.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.781 0.325 . . . . 0.0 110.551 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 267' ' ' VAL . . . . . 0.495 HG12 ' HG2' ' B' ' 269' ' ' GLU . 3.4 t -98.6 148.61 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.672 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -52.56 -52.1 56.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.55 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.605 ' OE2' ' NH2' ' B' ' 211' ' ' ARG . 0.9 OUTLIER -38.12 -59.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 270' ' ' TRP . . . . . 0.41 ' O ' ' HB3' ' B' ' 273' ' ' LYS . 0.7 OUTLIER -80.93 -35.56 32.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -52.21 -52.63 51.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.723 ' O ' HG12 ' B' ' 276' ' ' ILE . 18.3 m -70.7 -14.91 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 62.9 tttp -78.86 -33.55 45.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 274' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 278' ' ' LYS . 1.5 m -77.05 -57.94 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.576 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.855 HG23 ' N ' ' B' ' 276' ' ' ILE . 10.7 m -45.24 -60.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.855 ' N ' HG23 ' B' ' 275' ' ' VAL . 2.1 pp -56.14 -41.04 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 42.1 tp10 -67.27 -38.91 85.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 278' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' B' ' 274' ' ' THR . 35.4 ttpt -72.42 -31.61 65.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.65 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 279' ' ' PHE . . . . . 0.425 ' CZ ' ' OE2' ' B' ' 257' ' ' GLU . 2.3 m-85 -78.69 -29.03 45.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 280' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' B' ' 284' ' ' ALA . . . -74.88 -23.25 58.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.643 ' O ' ' HB2' ' B' ' 285' ' ' ALA . 1.2 mp0 -85.64 -53.37 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.654 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 282' ' ' GLN . . . . . 0.4 ' O ' HD23 ' B' ' 286' ' ' LEU . 11.9 tm0? -59.96 -41.58 92.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 5.1 m-30 -71.25 -48.6 50.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.597 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 284' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 280' ' ' ALA . . . -78.29 7.6 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.684 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 285' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' B' ' 281' ' ' GLU . . . -97.47 -3.18 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.741 ' HG ' HD11 ' A' ' 53' ' ' LEU . 3.8 mm? -87.8 -168.74 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.616 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 55.4 m -116.26 -18.23 10.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.586 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 9.9 t0 -60.43 121.21 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -40.04 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -50.04 -41.2 47.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 1.08 HD13 ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.04 -53.61 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.476 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' B' ' 288' ' ' ASP . 19.1 ttmm -37.13 -54.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 293' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' B' ' 294' ' ' ARG . 0.3 OUTLIER -63.69 -38.49 91.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.427 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.55 ' N ' ' HG3' ' B' ' 293' ' ' GLU . 20.1 ttm180 -57.76 -31.19 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -42.1 -46.11 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -44.85 -39.94 6.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -67.19 -41.18 86.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.396 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.33 -53.74 53.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.226 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 299' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' B' ' 300' ' ' ALA . 0.0 OUTLIER -52.74 -36.78 58.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.148 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.473 ' N ' ' HG2' ' B' ' 299' ' ' ARG . . . -65.07 -37.51 87.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.264 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.806 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.1 OUTLIER -48.5 -41.62 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.266 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 302' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -63.53 -40.3 98.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -63.84 -40.66 97.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 110.218 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.402 ' HD3' HH21 ' B' ' 304' ' ' ARG . 6.9 mmm-85 -69.85 -41.07 75.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.204 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 305' ' ' LEU . . . . . 0.609 ' O ' HD12 ' B' ' 309' ' ' LEU . 1.0 OUTLIER -64.35 -39.53 94.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.28 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 306' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 306' ' ' LEU . 2.5 mm? -67.67 -39.84 84.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.4 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -69.36 -43.37 73.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.436 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -74.09 -21.2 60.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.404 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.609 HD12 ' O ' ' B' ' 305' ' ' LEU . 2.2 mt -72.78 -15.72 61.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.431 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -97.35 111.34 23.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' B' ' 182' ' ' ILE . 36.6 mtm105 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.805 0.336 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 323' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -155.65 159.04 39.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.501 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 47.8 mm -107.63 144.12 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.46 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.609 HD22 HD21 ' B' ' 335' ' ' LEU . 5.0 tp -83.54 110.78 18.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.711 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 3.3 t -110.12 97.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.66 150.45 48.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.537 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -70.49 -28.83 65.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -134.2 131.34 38.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.489 HD22 ' HB1' ' B' ' 357' ' ' ALA . 0.5 OUTLIER -83.55 126.68 33.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.474 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 1.8 t -136.28 121.69 19.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.33 -41.69 85.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' B' ' 336' ' ' ALA . 0.6 OUTLIER -56.61 -40.92 76.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.561 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 94.5 m -60.58 -45.7 92.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.609 HD21 HD22 ' B' ' 325' ' ' LEU . 92.9 mt -57.51 -29.28 64.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.522 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 336' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' B' ' 333' ' ' THR . . . -62.09 8.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.599 ' H ' ' C ' ' B' ' 335' ' ' LEU . 42.4 mm-40 -99.74 -39.64 8.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.683 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 14.9 mt -110.16 149.68 40.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.595 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.88 149.57 47.8 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.745 2.297 . . . . 0.0 112.098 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -69.49 -7.99 43.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.31 -37.3 63.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -89.13 -15.66 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 9.9 mt -84.65 100.55 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.491 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.39 33.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.711 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 146.42 158.27 7.69 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.723 HG23 HG23 ' B' ' 368' ' ' THR . 11.0 m -146.42 151.55 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 347' ' ' VAL . . . . . 0.417 HG13 HG12 ' B' ' 369' ' ' VAL . 95.3 t -140.74 137.23 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 8.8 p -137.12 152.79 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.636 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 349' ' ' ARG . . . . . 0.455 ' CG ' ' N ' ' B' ' 350' ' ' ASP . 2.7 ptm180 -98.56 -37.33 9.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.455 ' N ' ' CG ' ' B' ' 349' ' ' ARG . 33.5 t70 -134.48 77.71 1.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -126.97 137.38 9.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -71.72 148.18 46.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.814 0.34 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.58 -6.39 59.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -108.08 -13.77 14.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.595 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 10.8 p -46.13 146.03 1.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.5 -20.01 64.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 357' ' ' ALA . . . . . 0.489 ' HB1' HD22 ' B' ' 330' ' ' LEU . . . -85.18 -42.49 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -65.88 -39.82 91.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 14.0 tt -77.47 -22.0 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.621 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 360' ' ' MET . . . . . 0.413 ' SD ' ' CG2' ' B' ' 238' ' ' THR . 9.0 ttt -77.3 -43.39 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.98 ' O ' HG22 ' B' ' 366' ' ' ILE . 17.3 m -65.79 -35.27 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.524 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' B' ' 176' ' ' ALA . 37.2 ttp180 -77.46 -33.07 54.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.655 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.583 ' HB3' ' OE1' ' B' ' 235' ' ' GLN . . . -67.62 -45.41 75.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.483 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 364' ' ' LEU . . . . . 0.96 HD21 ' HA ' ' B' ' 361' ' ' VAL . 2.9 pp -66.59 -29.19 69.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.672 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 365' ' ' GLY . . . . . 0.664 ' N ' HD12 ' B' ' 364' ' ' LEU . . . 97.71 72.07 1.07 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 366' ' ' ILE . . . . . 0.98 HG22 ' O ' ' B' ' 361' ' ' VAL . 2.4 tp -143.05 125.78 8.93 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.949 0.404 . . . . 0.0 110.532 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -47.85 116.77 2.06 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.777 2.318 . . . . 0.0 112.243 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 368' ' ' THR . . . . . 0.723 HG23 HG23 ' B' ' 346' ' ' VAL . 43.2 m -128.94 141.1 51.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 369' ' ' VAL . . . . . 0.417 HG12 HG13 ' B' ' 347' ' ' VAL . 1.0 OUTLIER -136.45 139.88 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.537 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 370' ' ' MET . . . . . 1.091 ' SD ' ' HB2' ' B' ' 176' ' ' ALA . 0.0 OUTLIER -126.49 156.48 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 108.81 -10.11 34.7 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 372' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' B' ' 349' ' ' ARG . . . -55.17 108.46 0.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.81 0.338 . . . . 0.0 110.489 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 30.47 4.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' B' ' 374' ' ' ILE . 8.6 tp -105.83 133.01 51.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.651 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.759 ' O ' HG22 ' B' ' 378' ' ' VAL . 23.0 mp0 -64.15 130.62 94.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.593 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.57 -21.71 21.92 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.882 2.388 . . . . 0.0 112.205 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 40.0 t -56.95 -31.67 65.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.586 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 378' ' ' VAL . . . . . 0.759 HG22 ' O ' ' B' ' 375' ' ' GLN . 10.4 m -85.1 -28.63 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.848 ' O ' ' N ' ' B' ' 381' ' ' ARG . 1.4 mp -72.39 -22.36 61.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 1.013 ' CD2' ' H ' ' B' ' 381' ' ' ARG . 42.6 p-80 24.75 -76.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 1.013 ' H ' ' CD2' ' B' ' 380' ' ' HIS . 0.2 OUTLIER -149.7 28.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 382' ' ' ARG . . . . . 0.428 ' HG2' ' NE2' ' B' ' 380' ' ' HIS . 0.0 OUTLIER -70.77 169.1 15.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.558 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 91.8 m -78.29 132.07 37.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.625 HD12 ' O ' ' B' ' 394' ' ' LEU . 11.3 tp -136.47 115.62 12.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 385' ' ' ILE . . . . . 0.482 HD12 ' N ' ' B' ' 385' ' ' ILE . 1.7 mp -99.61 109.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.612 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 31.4 m -96.5 147.59 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.662 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.3 t0 -137.51 81.22 1.85 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 388' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -46.96 -47.18 19.86 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -46.48 53.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.533 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -9.56 30.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 55.42 49.84 62.67 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 392' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' B' ' 393' ' ' LEU . 85.5 tt0 -132.16 158.41 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 110.639 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.848 ' O ' HD12 ' B' ' 393' ' ' LEU . 3.9 pp -136.14 121.87 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.525 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.642 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 3.3 mm? -95.78 154.58 17.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.629 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.806 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 14.6 p -120.66 105.63 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.599 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.61 ' OD1' ' O ' ' B' ' 395' ' ' VAL . 44.1 p-10 21.22 50.81 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.806 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.4 Cg_endo . . . . . 0 C--N 1.304 -1.8 0 C-N-CA 122.791 2.328 . . . . 0.0 112.092 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -83.01 159.33 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.486 ' O ' HD12 ' A' ' 76' ' ' LEU . 97.4 t -133.39 117.73 28.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HB2' ' OE1' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -124.81 172.51 9.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.604 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -161.72 132.7 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.548 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 6' ' ' THR . 12.5 t -78.43 129.31 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.665 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -130.5 123.36 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.595 ' O ' ' CD ' ' A' ' 8' ' ' GLU . 3.2 pp20? -80.26 127.28 32.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.49 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mm -90.23 105.67 16.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.573 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.1 OUTLIER -83.6 58.94 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 61.28 23.89 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -164.79 101.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.556 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.9 pp -64.11 -7.87 10.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.76 -87.45 0.11 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -117.06 -50.24 2.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.734 0.302 . . . . 0.0 110.532 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.411 ' ND1' ' CZ ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER 174.68 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 1.012 ' HB3' HH11 ' A' ' 18' ' ' ARG . . . -169.51 -13.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.567 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 1.012 HH11 ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -57.12 -54.19 57.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.791 ' O ' HD13 ' A' ' 23' ' ' LEU . 51.0 Cg_exo -48.1 -51.5 9.9 Favored 'Trans proline' 0 C--N 1.303 -1.822 0 C-N-CA 122.733 2.288 . . . . 0.0 112.174 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.09 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -40.44 80.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.458 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.489 ' O ' HD13 ' A' ' 26' ' ' LEU . 45.1 mttp -63.73 -37.32 86.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.791 HD13 ' O ' ' A' ' 19' ' ' PRO . 4.9 mp -50.31 -43.91 53.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -38.67 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.38 -34.65 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.852 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 5.3 mp -68.23 -40.24 82.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.813 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 66.2 ttp -58.8 -28.86 66.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -86.6 -27.67 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.19 -24.5 36.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.852 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.5 p90 -119.66 138.25 53.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.752 0.311 . . . . 0.0 110.635 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.741 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 66.6 t0 -80.33 109.15 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.625 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.847 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.99 148.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -98.21 128.32 44.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.742 ' C ' HD12 ' A' ' 35' ' ' LEU . 8.8 p -106.21 133.06 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.742 HD12 ' C ' ' A' ' 34' ' ' VAL . 7.0 mp -134.2 139.15 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.628 HD23 ' C ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -109.19 150.24 28.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.41 136.45 23.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.625 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.514 ' OD1' ' SD ' ' A' ' 54' ' ' MET . 13.6 m120 -93.78 153.56 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.57 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 45.8 p-10 -50.65 -27.97 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 93.8 mt-10 -68.06 -11.72 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.625 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.3 11.06 58.87 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.9 p -84.12 117.44 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.658 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 3.0 tm-20 -78.18 103.39 8.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.647 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.32 65.66 7.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.626 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.579 ' OE2' ' ND2' ' A' ' 47' ' ' ASN . 2.8 mt-10 -41.18 120.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.9 -9.22 8.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.579 ' ND2' ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -100.4 27.72 5.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.85 122.88 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.594 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.829 ' O ' HD12 ' A' ' 53' ' ' LEU . 6.6 p -62.86 -35.41 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 51' ' ' ALA . 20.6 pt -61.47 -37.83 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.621 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.647 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -64.8 -42.37 95.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.13 -39.05 77.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.829 HD12 ' O ' ' A' ' 49' ' ' VAL . 1.1 mp -65.03 -36.63 85.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.586 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.514 ' SD ' ' OD1' ' A' ' 38' ' ' ASN . 4.9 tmm? -68.29 -36.12 78.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.5 tt -63.41 -35.83 81.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.585 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD2' ' CG ' ' B' ' 291' ' ' LEU . 85.6 m-20 -53.15 -34.79 58.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -76.36 -6.37 51.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.46 29.28 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -69.4 97.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.57 5.25 39.61 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -105.95 165.15 11.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.316 . . . . 0.0 110.652 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.4 143.43 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.499 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 63' ' ' ILE . 8.1 pt -130.92 161.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.631 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -123.69 100.85 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.4 t -80.92 128.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -120.54 139.06 53.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.9 130.82 30.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.664 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 t -124.02 129.08 50.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.477 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.42 161.38 8.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -46.9 -45.39 20.83 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.908 2.405 . . . . 0.0 112.071 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 74' ' ' GLU . 50.5 mt-30 -93.97 6.95 46.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 14.5 pt-20 -37.87 -37.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -49.15 73.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.512 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 71' ' ' GLN . 15.8 tm-20 -56.94 -51.9 67.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.641 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.701 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.41 -49.27 72.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -64.79 -43.91 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.618 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.15 99.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.558 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.28 99.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.577 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 75' ' ' ALA . 47.0 t -67.02 -41.87 87.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.5 mm -65.17 -41.09 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.608 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.67 81.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.4 mt -73.58 -38.97 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.733 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.13 -22.92 61.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -90.51 -3.77 57.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.087 -0.958 . . . . 0.0 110.65 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 16.6 mm -102.04 131.6 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.73 109.45 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.505 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.607 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -109.45 160.68 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' B' ' 370' ' ' MET . 11.8 mt -79.2 115.59 53.95 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.25 110.51 2.97 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.817 2.345 . . . . 0.0 112.158 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -91.91 -25.57 18.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.29 103.21 3.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.52 155.12 1.44 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.779 2.319 . . . . 0.0 112.202 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 125.82 164.08 11.72 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 32.7 m -106.68 156.3 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 181' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' B' ' 386' ' ' VAL . . . -150.04 122.13 8.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.471 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 5.1 pt -122.14 117.49 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.473 ' HB3' HG23 ' B' ' 324' ' ' ILE . . . -179.41 179.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 184' ' ' GLU . . . . . 0.617 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 7.8 mp0 -85.91 169.11 13.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.59 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.589 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -94.43 144.93 17.44 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 186' ' ' TRP . . . . . 0.515 ' CH2' ' NH1' ' B' ' 381' ' ' ARG . 37.9 t-105 -134.96 118.25 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 202' ' ' THR . . . . . 0.786 ' C ' HD13 ' B' ' 203' ' ' LEU . 3.7 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.321 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 1.055 HD13 ' N ' ' B' ' 203' ' ' LEU . 0.0 OUTLIER -91.62 147.3 23.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.733 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -158.16 93.42 2.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -70.5 -12.06 30.88 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.782 2.321 . . . . 0.0 112.13 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -98.41 -43.42 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.533 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 207' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' B' ' 211' ' ' ARG . 2.9 tp -85.9 -31.9 21.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.463 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.733 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 81.9 mm-40 -73.07 -59.06 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 30.1 mtp-105 -53.38 -47.91 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.448 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -65.28 -40.56 94.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.447 HH12 ' CD ' ' B' ' 269' ' ' GLU . 8.9 mtp-105 -55.65 -41.24 73.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.471 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.824 ' C ' HD13 ' B' ' 212' ' ' LEU . 3.3 tm? -67.4 -52.62 37.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 96.0 m -52.42 -48.26 65.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.59 -36.44 85.38 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -70.21 -43.8 69.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.698 0.285 . . . . 0.0 110.54 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.989 HD23 ' N ' ' B' ' 217' ' ' GLU . 0.0 OUTLIER -57.92 -46.25 85.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.989 ' N ' HD23 ' B' ' 216' ' ' LEU . 13.8 tm-20 -61.26 -29.22 69.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.44 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -84.74 -28.2 26.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -90.4 -49.21 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.9 -47.25 80.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.678 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 221' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -68.56 -30.15 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.689 ' O ' ' CD1' ' B' ' 226' ' ' TYR . 3.7 tm-20 -74.86 -35.64 62.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.497 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -81.55 -47.07 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 224' ' ' ARG . . . . . 0.411 HH21 ' HD2' ' B' ' 224' ' ' ARG . 30.7 ttm105 -59.99 -48.63 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -68.16 -38.84 82.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.689 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 2.7 m-85 -58.31 -54.08 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.488 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 227' ' ' SER . . . . . 0.484 ' OG ' ' HB2' ' B' ' 242' ' ' PHE . 45.5 m -56.52 -54.73 42.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.479 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -43.84 6.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -47.04 88.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.683 ' O ' ' N ' ' B' ' 234' ' ' ALA . 25.6 m-85 -60.4 -42.36 95.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -49.48 -38.32 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.78 -23.04 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.561 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -115.33 -58.25 0.35 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.683 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -66.17 -147.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.597 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 235' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.16 -165.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.513 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 236' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' B' ' 240' ' ' ALA . 0.5 OUTLIER -59.55 -33.58 71.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.581 ' CG ' ' N ' ' B' ' 238' ' ' THR . 8.4 pt-20 -41.04 -46.77 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.663 ' O ' ' CG1' ' B' ' 241' ' ' ILE . 12.9 p -70.23 -48.64 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -65.04 -27.85 69.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 240' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 236' ' ' LYS . . . -67.68 -48.21 67.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.541 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.919 ' O ' ' HG ' ' B' ' 244' ' ' LEU . 6.5 pt -59.97 -60.29 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.756 ' H ' HG13 ' B' ' 241' ' ' ILE . 0.0 OUTLIER -46.17 -58.43 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.587 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.619 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 64.9 t0 -33.01 -55.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 1.03 HD12 ' N ' ' B' ' 245' ' ' TYR . 4.2 pp -79.34 -46.77 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 1.03 ' N ' HD12 ' B' ' 244' ' ' LEU . 0.1 OUTLIER -45.92 -56.78 5.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 2.0 p -55.6 -49.56 72.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.49 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.52 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 34.5 m170 -67.84 -23.77 65.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.938 HD23 ' N ' ' B' ' 249' ' ' LEU . 0.4 OUTLIER -71.46 -50.49 31.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.534 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.938 ' N ' HD23 ' B' ' 248' ' ' LEU . 3.2 tm? -80.62 -40.81 25.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 250' ' ' SER . . . . . 0.488 ' HG ' ' HA ' ' B' ' 247' ' ' HIS . 60.7 p -63.53 -23.27 67.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.941 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 12.6 p30 -49.49 131.42 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 71.4 p -68.82 3.17 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 253' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -75.37 -44.2 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 254' ' ' LEU . . . . . 0.41 ' HB3' HH11 ' B' ' 255' ' ' ARG . 1.0 OUTLIER -73.05 -50.58 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.551 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.907 ' N ' ' HE ' ' B' ' 255' ' ' ARG . 0.5 OUTLIER -48.05 -53.06 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -60.33 -44.03 95.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.674 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 19.9 mm-40 -54.1 -50.82 65.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.4 -59.25 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 259' ' ' PHE . . . . . 0.507 ' N ' ' CD2' ' B' ' 259' ' ' PHE . 2.0 m-85 -52.43 -33.88 46.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.68 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 260' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -58.7 -41.43 86.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.66 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.11 -41.59 85.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 262' ' ' VAL . . . . . 0.496 HG22 ' O ' ' B' ' 266' ' ' SER . 87.2 t -67.18 -33.28 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.519 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.65 -20.62 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.521 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -94.71 -18.96 20.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 265' ' ' GLY . . . . . 0.725 ' O ' HD12 ' B' ' 203' ' ' LEU . . . 123.76 19.51 2.75 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 266' ' ' SER . . . . . 0.496 ' O ' HG22 ' B' ' 262' ' ' VAL . 75.1 m -90.94 155.57 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.478 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 267' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 202' ' ' THR . 57.8 t -97.86 146.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.624 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.489 ' CB ' ' OE1' ' B' ' 208' ' ' GLU . . . -50.98 -46.27 61.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.456 ' H ' HG12 ' B' ' 267' ' ' VAL . 1.4 mp0 -43.6 -58.74 2.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -40.59 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.492 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.452 ' O ' HG12 ' B' ' 275' ' ' VAL . . . -54.94 -44.35 74.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.476 ' O ' HG12 ' B' ' 276' ' ' ILE . 94.3 t -64.03 -35.1 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.537 ' HA ' HD11 ' B' ' 276' ' ' ILE . 73.3 tttt -80.7 -38.47 28.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 69.0 m -68.8 -53.45 21.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.656 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.793 HG13 ' N ' ' B' ' 276' ' ' ILE . 11.5 p -48.93 -56.99 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.793 ' N ' HG13 ' B' ' 275' ' ' VAL . 28.3 pt -57.49 -39.8 71.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.505 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 55.1 mm-40 -68.22 -36.32 79.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -70.13 -35.27 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 279' ' ' PHE . . . . . 0.843 ' O ' ' CD2' ' B' ' 283' ' ' PHE . 14.6 m-85 -83.37 -23.44 32.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 280' ' ' ALA . . . . . 0.82 ' O ' ' CB ' ' B' ' 284' ' ' ALA . . . -62.3 -47.35 84.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 14.9 mp0 -83.94 -21.5 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 282' ' ' GLN . . . . . 0.542 ' OE1' ' CD2' ' B' ' 279' ' ' PHE . 51.6 tt0 -58.04 -60.83 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.843 ' CD2' ' O ' ' B' ' 279' ' ' PHE . 30.0 p90 -86.15 -32.45 21.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 284' ' ' ALA . . . . . 0.82 ' CB ' ' O ' ' B' ' 280' ' ' ALA . . . -57.38 -14.8 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.74 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 286' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.12 177.6 8.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 83.8 p -102.58 -20.14 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.785 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 44.7 p-10 -52.15 96.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.514 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.89 -46.8 61.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.572 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 290' ' ' TYR . . . . . 0.411 ' CZ ' ' ND1' ' A' ' 16' ' ' HIS . 30.6 t80 -54.03 -21.99 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.554 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.527 HD12 ' HG ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -118.22 -48.02 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.785 ' CB ' ' O ' ' B' ' 288' ' ' ASP . 39.5 tttt -40.14 -39.89 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.463 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 293' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' B' ' 295' ' ' ALA . 8.6 mt-10 -53.25 -20.88 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.694 HH22 HD13 ' B' ' 244' ' ' LEU . 34.4 ttm-85 -38.67 -30.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 295' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -39.39 -53.81 1.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.443 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -50.74 -44.29 48.01 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.5 ' O ' ' OH ' ' B' ' 245' ' ' TYR . 3.2 m-20 -71.36 -44.89 64.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.48 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -54.93 40.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.331 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 299' ' ' ARG . . . . . 0.4 HH21 ' HD3' ' B' ' 299' ' ' ARG . 25.9 ttp-105 -53.74 -40.7 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.401 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.752 ' HB1' HG21 ' B' ' 333' ' ' THR . . . -61.58 -37.96 85.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.898 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.1 OUTLIER -56.27 -41.7 76.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.407 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 302' ' ' GLY . . . . . 0.622 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -59.89 -42.67 98.29 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -59.43 -39.72 84.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.377 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.588 ' NH2' ' OE1' ' B' ' 337' ' ' GLU . 0.0 OUTLIER -66.04 -41.7 90.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.375 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 305' ' ' LEU . . . . . 0.604 HD23 HD12 ' B' ' 301' ' ' LEU . 3.6 mm? -69.17 -39.95 78.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.366 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 306' ' ' LEU . . . . . 0.582 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.1 OUTLIER -65.52 -40.69 93.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -69.48 -40.18 77.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.454 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 308' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 74.7 m-70 -73.51 -22.05 60.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.404 HD12 ' O ' ' B' ' 305' ' ' LEU . 3.9 mt -75.28 -13.5 60.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 310' ' ' ASP . . . . . 0.582 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 5.1 m-20 -123.02 108.35 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.812 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 7.4 ptm180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.724 0.297 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.812 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 83.6 m-85 -163.57 167.33 21.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.537 ' CD1' HG13 ' B' ' 326' ' ' VAL . 1.6 pp -102.07 156.97 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.475 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.571 ' HB3' HG13 ' B' ' 346' ' ' VAL . 4.6 tp -91.39 123.09 34.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.621 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.537 HG13 ' CD1' ' B' ' 324' ' ' ILE . 0.0 OUTLIER -122.78 90.92 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -122.2 155.24 36.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 328' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 41.8 p30 -73.2 -17.45 61.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.441 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 19.1 tp10 -149.98 133.05 16.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.533 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 4.4 mt -86.7 118.8 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 32.6 p -116.43 131.0 57.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.523 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.04 -38.79 62.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.558 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.752 HG21 ' HB1' ' B' ' 300' ' ' ALA . 90.9 m -58.2 -43.34 87.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 91.1 m -59.0 -52.43 65.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.722 HD23 ' C ' ' B' ' 335' ' ' LEU . 9.0 tt -49.65 -46.8 50.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -74.11 6.79 3.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.588 ' OE1' ' NH2' ' B' ' 304' ' ' ARG . 1.2 tt0 -104.17 -40.16 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.59 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 1.8 tp -106.0 118.42 55.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.69 136.42 21.55 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.851 2.367 . . . . 0.0 112.004 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.86 -31.85 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.635 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -46.47 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.428 ' N ' ' HD3' ' B' ' 342' ' ' ARG . 18.8 mmt180 -75.73 -18.17 59.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.814 HD11 ' O ' ' B' ' 345' ' ' GLY . 50.5 tp -90.87 106.04 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.475 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 11.3 m -109.46 14.68 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.633 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 345' ' ' GLY . . . . . 0.814 ' O ' HD11 ' B' ' 343' ' ' LEU . . . 176.98 155.48 13.68 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.571 HG13 ' HB3' ' B' ' 325' ' ' LEU . 1.3 t -143.65 137.39 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.56 126.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 9.8 p -125.88 149.5 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 349' ' ' ARG . . . . . 0.49 HH11 ' C ' ' B' ' 373' ' ' ASP . 57.1 mtp180 -88.18 -39.63 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.488 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.43 80.8 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.587 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -123.96 130.87 7.78 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 352' ' ' ALA . . . . . 0.591 ' HB3' ' OG ' ' B' ' 355' ' ' SER . . . -95.63 140.67 30.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.541 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.75 -27.5 65.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.555 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.63 -3.3 49.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 355' ' ' SER . . . . . 0.591 ' OG ' ' HB3' ' B' ' 352' ' ' ALA . 58.9 m -73.55 143.33 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -60.35 -39.35 86.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.475 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.12 90.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.48 94.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.661 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.13 -38.84 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.625 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 55.5 mtt -64.22 -48.55 75.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.59 -43.86 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 12.7 ttp-105 -62.59 -46.18 89.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.63 -30.62 71.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.56 -32.38 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.22 32.62 9.47 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 4.6 mm -104.96 121.27 47.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.657 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.31 120.9 4.77 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.845 2.364 . . . . 0.0 112.147 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 84.9 m -149.42 148.53 29.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.6 151.34 26.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.607 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 0.6 OUTLIER -124.8 160.32 28.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.62 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.71 -0.74 58.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -54.42 110.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 373' ' ' ASP . . . . . 0.49 ' C ' HH11 ' B' ' 349' ' ' ARG . 60.2 m-20 -99.95 56.61 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.685 ' O ' HD13 ' B' ' 374' ' ' ILE . 0.1 OUTLIER -133.49 155.61 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -95.26 105.29 18.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 376' ' ' PRO . . . . . 0.54 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 51.8 Cg_exo -47.99 -28.09 9.84 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.822 2.348 . . . . 0.0 112.173 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 47.7 t -55.45 -49.09 73.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.624 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.7 -35.08 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.553 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.63 ' O ' ' N ' ' B' ' 381' ' ' ARG . 16.1 mt -83.8 -46.8 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.589 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.2 OUTLIER 52.18 -78.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.63 ' N ' ' O ' ' B' ' 379' ' ' LEU . 1.4 mpt_? -132.51 25.03 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -71.69 175.7 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.621 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 37.9 m -83.74 129.76 34.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.404 HD21 HD13 ' B' ' 379' ' ' LEU . 3.3 mp -122.26 145.71 47.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.632 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 82.9 mt -130.69 100.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.556 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 386' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' B' ' 181' ' ' ALA . 49.2 t -93.46 147.95 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.8 t0 -140.36 82.81 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.59 -45.88 30.1 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -47.67 -43.23 26.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.615 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 390' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' B' ' 391' ' ' GLY . 11.5 mmp_? -108.9 6.65 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.638 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 35.93 61.31 0.78 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 392' ' ' GLU . . . . . 0.515 ' HG2' ' N ' ' B' ' 393' ' ' LEU . 34.3 tt0 -135.01 160.77 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.53 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.549 HD23 ' C ' ' B' ' 393' ' ' LEU . 3.8 tt -127.74 109.64 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.462 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 18.4 mt -95.49 161.18 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.781 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 94.0 t -126.86 102.05 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.511 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.624 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.4 OUTLIER 18.84 52.4 0.1 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.594 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.781 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 40.6 Cg_endo . . . . . 0 C--N 1.306 -1.684 0 C-N-CA 122.817 2.345 . . . . 0.0 112.109 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.405 ' SD ' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.405 HG22 ' SD ' ' A' ' 1' ' ' MET . 5.0 t -84.15 158.87 21.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.492 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.497 ' O ' HG12 ' A' ' 3' ' ' VAL . 1.0 OUTLIER -132.63 119.6 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.497 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -126.28 172.79 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.658 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -162.47 133.73 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 p -80.17 129.06 34.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.48 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 m -129.85 123.6 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 58.1 mp0 -79.62 127.01 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.635 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.476 HD12 HD23 ' A' ' 13' ' ' LEU . 19.2 mm -89.95 104.83 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 10' ' ' THR . 61.0 m -81.31 55.52 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.507 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.2 t30 61.99 25.82 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.504 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' A' ' 14' ' ' GLY . 12.8 tptt -164.4 94.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.582 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.476 HD23 HD12 ' A' ' 9' ' ' ILE . 15.9 mt -59.84 -0.08 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.432 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 1.045 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 73.77 27.49 66.93 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . 1.362 ' HA ' ' CD ' ' A' ' 19' ' ' PRO . 1.7 ptp -133.35 -86.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.699 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.776 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 2.8 t60 67.92 5.25 4.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.475 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 140.84 39.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.523 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.774 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 3.6 mtp180 -160.01 -68.74 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.679 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 1.362 ' CD ' ' HA ' ' A' ' 15' ' ' MET . 50.2 Cg_exo -48.88 -62.32 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.945 2.43 . . . . 0.0 112.182 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 1.224 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -53.17 -44.69 68.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.7 tpt -69.03 -42.27 76.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 12.4 tptt -60.65 -39.24 87.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.599 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 23' ' ' LEU . 5.9 tt -48.33 -46.66 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -55.79 -40.92 73.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.5 -36.12 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.708 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.88 -42.18 85.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 49.4 ttm -55.73 -31.45 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -82.55 -34.2 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.68 -32.26 42.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -104.52 155.09 19.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 0.0 110.581 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.819 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -99.13 93.61 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.686 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 168.51 156.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.21 129.58 46.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.1 t -107.22 133.6 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 36' ' ' LEU . 72.5 mt -135.34 138.17 43.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.565 HD12 ' C ' ' A' ' 35' ' ' LEU . 11.1 mp -108.47 150.66 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -146.73 135.48 22.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.622 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -92.48 154.1 18.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -51.66 -26.55 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.63 -10.0 56.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.69 12.01 59.9 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.1 m -85.33 116.77 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.489 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 2.2 pm0 -77.98 103.49 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.637 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.6 65.41 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.546 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -40.55 121.14 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.563 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.69 -10.51 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.616 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.8 28.76 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.539 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -146.51 122.88 10.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 50' ' ' ILE . 4.8 m -62.93 -36.59 76.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.79 HD12 ' CE1' ' B' ' 283' ' ' PHE . 3.5 tt -61.23 -36.45 72.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.637 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.86 -42.96 89.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.224 HD21 ' CB ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -58.51 -38.1 76.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.116 ' O ' HD21 ' B' ' 291' ' ' LEU . 7.3 mp -64.84 -36.64 84.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.658 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 46.3 mtt -67.62 -38.75 84.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 92.8 mt -61.46 -35.47 77.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 5.4 m-20 -52.64 -34.35 50.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.56 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.0 p -77.85 -6.25 53.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.02 28.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.54 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 56' ' ' ASP . 4.5 mmtp -68.96 97.35 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.48 5.36 39.74 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.26 164.64 11.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.607 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -97.56 144.21 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.643 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.549 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -131.89 161.11 41.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.538 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.549 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.9 mt-10 -123.12 102.11 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 63' ' ' ILE . 4.2 t -82.02 127.5 39.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -119.65 141.06 49.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.52 129.52 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.677 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.737 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 9.9 t -120.31 141.47 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.577 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.04 -177.37 18.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.819 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 49.0 Cg_endo -72.4 -36.93 4.76 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.807 2.338 . . . . 0.0 112.155 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.456 ' O ' ' C ' ' A' ' 72' ' ' GLU . 63.5 mm-40 -97.85 3.01 49.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.58 ' CD ' ' N ' ' A' ' 73' ' ' GLU . 1.5 pp20? -35.34 -42.72 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.599 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.58 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 16.1 tm-20 -58.45 -49.98 75.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' GLN . 69.9 mm-40 -58.14 -50.93 71.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.532 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.79 -49.29 75.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.7 -44.07 91.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.44 99.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.98 98.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.32 -42.72 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.59 -41.4 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.437 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.21 83.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.477 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.11 -37.51 66.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.65 -33.06 72.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.452 ' O ' ' CB ' ' A' ' 85' ' ' SER . 3.1 m120 -81.47 -5.21 57.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.65 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 18.4 ttp85 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 49.2 mt -114.36 134.75 56.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.15 109.6 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 1.047 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -114.08 153.47 29.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.584 ' N ' ' O ' ' B' ' 370' ' ' MET . 80.1 mt -66.37 112.63 9.75 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -72.76 110.74 3.08 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.9 2.4 . . . . 0.0 112.16 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 176' ' ' ALA . . . . . 0.524 ' O ' ' HD3' ' B' ' 362' ' ' ARG . . . -83.24 -38.48 22.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 177' ' ' ALA . . . . . 0.428 ' O ' ' HA3' ' B' ' 388' ' ' GLY . . . -133.45 131.83 21.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.14 144.4 42.03 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.779 2.32 . . . . 0.0 112.167 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 135.93 164.55 10.33 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.9 p -126.09 145.92 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 110.477 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 181' ' ' ALA . . . . . 0.485 ' HB1' HH11 ' B' ' 322' ' ' ARG . . . -152.32 150.74 30.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 2.1 pt -130.04 134.85 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.471 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 178.67 177.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 184' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' B' ' 381' ' ' ARG . 65.5 mm-40 -78.8 158.69 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -95.01 144.28 17.1 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -146.47 108.83 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.542 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.759 0.314 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 0.669 ' O ' HD23 ' B' ' 203' ' ' LEU . 0.5 OUTLIER -80.12 126.91 31.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.587 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -148.96 78.45 8.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.015 0.436 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -46.93 -17.55 0.42 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.917 2.411 . . . . 0.0 112.076 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -82.9 -55.63 4.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 4.9 mt -76.66 -38.66 54.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 208' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -63.66 -56.97 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 209' ' ' ARG . . . . . 0.522 ' O ' ' HG ' ' B' ' 212' ' ' LEU . 46.8 ttp180 -55.63 -41.75 73.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.482 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -72.4 -36.92 68.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.401 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.512 HH12 ' CD ' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -52.4 -53.73 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.363 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.695 ' HG ' ' H ' ' B' ' 213' ' ' THR . 2.3 pp -66.18 -45.65 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.383 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 213' ' ' THR . . . . . 0.695 ' H ' ' HG ' ' B' ' 212' ' ' LEU . 57.1 m -58.93 -52.06 67.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.19 -35.52 88.1 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.28 -41.28 66.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.403 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.667 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.4 tp -56.4 -52.07 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.448 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.536 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 2.6 mm-40 -50.48 -34.05 23.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.362 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -81.58 -36.33 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.358 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 219' ' ' ALA . . . . . 0.495 ' HB2' ' ND1' ' B' ' 308' ' ' HIS . . . -83.49 -50.7 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.76 -46.59 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 94.4 m-20 -62.79 -31.64 72.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.355 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 3.6 tt0 -66.26 -42.04 89.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.444 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -66.19 -44.2 84.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -62.97 -42.58 99.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 225' ' ' ARG . . . . . 0.417 ' C ' ' NH2' ' B' ' 229' ' ' ARG . 73.4 mtm-85 -70.25 -33.49 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' B' ' 222' ' ' GLU . 2.0 m-85 -59.49 -59.2 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.73 -45.2 39.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.513 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -62.51 -38.94 91.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.432 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 229' ' ' ARG . . . . . 0.417 ' NH2' ' C ' ' B' ' 225' ' ' ARG . 0.0 OUTLIER -73.1 -42.65 62.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.713 ' O ' ' HB3' ' B' ' 234' ' ' ALA . 6.1 m-85 -66.94 -45.09 78.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.47 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.36 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.04 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -169.49 51.32 0.21 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' B' ' 230' ' ' PHE . . . -144.54 174.41 10.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 0.0 110.575 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.415 ' HG2' ' H ' ' B' ' 237' ' ' GLU . 61.3 tt0 -63.18 151.53 40.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -67.27 -41.77 84.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.509 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.415 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 2.3 tt0 -51.59 -50.57 59.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.477 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -54.27 -52.7 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -52.91 -42.89 65.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -67.25 -27.06 66.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.598 HG22 ' N ' ' B' ' 242' ' ' PHE . 0.9 OUTLIER -65.4 -53.14 43.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.598 ' N ' HG22 ' B' ' 241' ' ' ILE . 56.0 m-85 -61.59 -57.63 11.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -44.56 -48.12 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.469 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 0.58 HD23 HH11 ' B' ' 294' ' ' ARG . 17.3 tp -65.98 -37.78 86.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -71.0 -40.62 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.608 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 3.7 p -44.34 -45.84 9.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.545 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.53 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 7.4 t-80 -73.61 -27.44 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.685 ' C ' HD23 ' B' ' 248' ' ' LEU . 8.9 tt -67.45 -48.23 67.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.616 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.728 ' HG ' HD11 ' B' ' 301' ' ' LEU . 0.4 OUTLIER -70.4 -41.9 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.635 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 55.6 p -76.53 -12.72 60.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.613 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.871 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 19.9 p-10 -52.67 123.51 11.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 252' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' B' ' 256' ' ' ARG . 69.4 p -56.7 -1.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.564 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.705 ' HE ' ' N ' ' B' ' 254' ' ' LEU . 0.5 OUTLIER -80.64 -55.8 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.525 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 254' ' ' LEU . . . . . 0.763 ' O ' HD23 ' B' ' 254' ' ' LEU . 3.7 tt -65.42 -41.84 93.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 76.7 mtp180 -60.68 -44.91 95.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 256' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' B' ' 252' ' ' THR . 5.9 tmm_? -67.62 -39.69 84.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.591 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.26 -54.35 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.603 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.789 ' C ' HD12 ' B' ' 258' ' ' LEU . 0.6 OUTLIER -64.64 -42.05 95.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.606 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 259' ' ' PHE . . . . . 0.657 ' N ' ' HG ' ' B' ' 258' ' ' LEU . 39.4 t80 -62.94 -37.42 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.96 89.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 261' ' ' GLU . . . . . 0.441 ' C ' ' OG ' ' B' ' 266' ' ' SER . 1.6 mp0 -64.01 -39.51 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.0 -40.68 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.638 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -11.6 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -94.33 -19.5 20.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 126.09 11.3 3.92 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 266' ' ' SER . . . . . 0.441 ' OG ' ' C ' ' B' ' 261' ' ' GLU . 51.8 p -93.01 162.91 13.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.362 . . . . 0.0 110.617 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.44 149.64 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.491 ' O ' HG23 ' B' ' 272' ' ' VAL . . . -56.71 -40.93 76.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.512 ' CD ' HH12 ' B' ' 211' ' ' ARG . 0.4 OUTLIER -49.25 -57.67 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -76.42 -44.39 36.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.947 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -53.1 -44.41 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.82 ' O ' HG23 ' B' ' 276' ' ' ILE . 70.4 t -68.52 -27.45 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.84 -29.98 24.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 85.4 m -77.39 -48.41 17.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.947 HG22 ' O ' ' B' ' 271' ' ' ALA . 31.4 m -65.11 -48.74 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.82 HG23 ' O ' ' B' ' 272' ' ' VAL . 2.3 pp -63.83 -21.77 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.565 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.53 -34.27 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.622 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 278' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' B' ' 282' ' ' GLN . 0.3 OUTLIER -72.65 -46.7 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 279' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' B' ' 280' ' ' ALA . 0.1 OUTLIER -74.73 -19.3 60.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 280' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' B' ' 276' ' ' ILE . . . -72.46 -38.09 68.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -87.07 -28.62 22.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.654 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 282' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' B' ' 278' ' ' LYS . 1.3 mm100 -58.29 -48.07 81.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.539 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.79 ' CE1' HD12 ' A' ' 50' ' ' ILE . 2.5 m-30 -66.74 -34.25 77.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 284' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -60.61 -37.1 80.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 285' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -39.32 -24.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.615 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' B' ' 284' ' ' ALA . 4.1 mm? -60.78 163.8 5.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 287' ' ' SER . . . . . 0.451 ' O ' ' C ' ' B' ' 288' ' ' ASP . 15.4 m -100.33 -44.58 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.933 ' HB2' HD22 ' B' ' 291' ' ' LEU . 0.7 OUTLIER -35.69 134.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.676 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.26 -45.61 93.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.527 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 290' ' ' TYR . . . . . 0.501 ' O ' ' HG2' ' B' ' 293' ' ' GLU . 61.2 t80 -56.95 -27.67 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 1.116 HD21 ' O ' ' A' ' 53' ' ' LEU . 2.3 mp -81.31 -63.35 1.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.492 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 292' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -42.28 -42.3 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.466 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 293' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 290' ' ' TYR . 20.6 pt-20 -70.46 -36.0 73.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.58 HH11 HD23 ' B' ' 244' ' ' LEU . 1.9 tpt180 -57.65 -37.34 73.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.09 63.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.348 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -51.64 -44.94 54.66 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.92 -39.44 94.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.387 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.37 -47.95 83.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.338 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -50.64 -42.61 56.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.314 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.677 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -65.05 -36.01 82.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.294 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.728 HD11 ' HG ' ' B' ' 249' ' ' LEU . 9.8 tt -53.15 -44.87 68.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.429 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.17 -38.53 96.66 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -44.27 90.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.346 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 12.0 mtp85 -65.63 -39.16 91.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.383 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 305' ' ' LEU . . . . . 0.495 HD23 HG13 ' B' ' 272' ' ' VAL . 13.5 tp -68.13 -40.16 82.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.409 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.72 -38.49 91.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.43 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -44.38 93.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.405 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 308' ' ' HIS . . . . . 0.495 ' ND1' ' HB2' ' B' ' 219' ' ' ALA . 28.1 m170 -69.69 -23.8 63.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' B' ' 309' ' ' LEU . 2.1 tp -60.88 -14.17 20.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.455 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.26 117.41 26.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.644 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.485 HH11 ' HB1' ' B' ' 181' ' ' ALA . 21.9 ttt180 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.741 0.305 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 3.6 m-85 -159.32 162.68 36.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.471 HG13 ' HB3' ' B' ' 183' ' ' ALA . 87.1 mt -116.54 145.48 22.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 3.2 tp -91.97 130.15 37.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.618 HG22 ' CG1' ' B' ' 347' ' ' VAL . 39.9 t -133.62 94.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -130.77 152.11 50.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -63.84 -31.58 72.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.523 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -139.24 115.44 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.455 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -82.85 142.2 31.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.479 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 29.3 t -145.67 142.2 28.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.559 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.849 ' N ' ' HB2' ' B' ' 357' ' ' ALA . . . -52.58 -35.81 54.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.677 ' OG1' ' CB ' ' B' ' 300' ' ' ALA . 2.0 t -54.14 -40.24 67.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 334' ' ' THR . . . . . 0.484 ' N ' ' CG2' ' B' ' 333' ' ' THR . 62.7 m -66.56 -52.13 48.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' B' ' 337' ' ' GLU . 65.0 tp -61.53 -43.04 99.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.12 2.16 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' B' ' 335' ' ' LEU . 32.0 tt0 -108.68 -32.72 7.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.548 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.51 126.13 30.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.613 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.73 141.73 15.39 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.755 2.303 . . . . 0.0 112.161 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 340' ' ' GLN . . . . . 0.558 ' CD ' ' H ' ' B' ' 340' ' ' GLN . 21.9 mp0 -73.33 -12.58 60.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -41.61 80.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.29 -24.17 26.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.466 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.5 HD21 ' CG2' ' B' ' 346' ' ' VAL . 6.7 tt -90.94 103.08 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.507 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.504 ' O ' HG12 ' B' ' 344' ' ' VAL . 7.3 t -123.12 27.06 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -178.43 145.27 6.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.5 ' CG2' HD21 ' B' ' 343' ' ' LEU . 58.8 t -141.89 143.07 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.592 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 347' ' ' VAL . . . . . 0.618 ' CG1' HG22 ' B' ' 326' ' ' VAL . 1.9 p -152.61 115.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.682 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.638 HG22 ' H ' ' B' ' 350' ' ' ASP . 8.6 p -110.94 157.57 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.528 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 349' ' ' ARG . . . . . 0.552 ' NH2' ' O ' ' B' ' 374' ' ' ILE . 70.1 mtp85 -74.56 -38.18 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.638 ' H ' HG22 ' B' ' 348' ' ' VAL . 0.1 OUTLIER 174.3 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 23.58 -102.97 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 352' ' ' ALA . . . . . 0.769 ' HB3' ' OG ' ' B' ' 355' ' ' SER . . . -118.25 130.2 55.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.529 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.38 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -132.48 96.01 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 355' ' ' SER . . . . . 0.769 ' OG ' ' HB3' ' B' ' 352' ' ' ALA . 0.8 OUTLIER -115.9 158.78 22.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -53.69 -41.6 67.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.631 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 357' ' ' ALA . . . . . 0.849 ' HB2' ' N ' ' B' ' 332' ' ' ALA . . . -63.75 -43.74 95.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 358' ' ' ALA . . . . . 0.774 ' HB1' HH11 ' B' ' 362' ' ' ARG . . . -55.72 -48.44 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.21 -34.8 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 2.7 mtm -67.32 -44.36 79.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 357' ' ' ALA . 46.4 t -63.61 -44.45 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.774 HH11 ' HB1' ' B' ' 358' ' ' ALA . 2.2 mtm180 -60.14 -44.2 95.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.92 -28.0 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.55 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 364' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' B' ' 364' ' ' LEU . 14.9 mt -68.49 -27.51 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.57 39.36 5.94 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 67.8 mt -121.75 122.13 27.94 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.895 0.379 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.68 134.84 22.09 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.836 2.357 . . . . 0.0 112.019 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 99.4 m -148.38 147.85 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.55 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.65 155.02 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 370' ' ' MET . . . . . 1.047 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 2.0 mtt -136.7 162.59 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.41 62.12 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -63.18 113.73 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -104.42 45.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.651 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 8.4 tp -115.32 142.17 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.666 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -75.06 107.43 3.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 376' ' ' PRO . . . . . 0.651 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 50.9 Cg_exo -48.51 -33.32 23.09 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.954 2.436 . . . . 0.0 112.086 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 88.4 p -47.48 -44.64 25.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 85.5 t -69.89 -32.38 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.506 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.603 ' O ' ' N ' ' B' ' 381' ' ' ARG . 7.6 mp -65.81 -33.08 75.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.4 OUTLIER 27.88 -89.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.603 ' N ' ' O ' ' B' ' 379' ' ' LEU . 96.9 mtt-85 -135.72 20.73 3.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.43 170.58 10.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 383' ' ' THR . . . . . 0.597 ' OG1' ' HB3' ' B' ' 396' ' ' ASP . 0.0 OUTLIER -79.63 128.32 33.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 0.678 HD12 ' O ' ' B' ' 394' ' ' LEU . 23.9 tp -133.09 114.81 14.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 385' ' ' ILE . . . . . 0.492 HG23 ' O ' ' B' ' 385' ' ' ILE . 13.0 tt -107.12 120.75 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 386' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' B' ' 393' ' ' LEU . 22.4 m -108.31 150.06 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 391' ' ' GLY . 52.7 t0 -133.39 88.02 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 388' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -50.26 -44.39 43.77 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -39.38 -51.33 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 110.562 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 390' ' ' ARG . . . . . 0.414 HH21 ' CG ' ' B' ' 390' ' ' ARG . 0.0 OUTLIER -117.33 17.16 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.488 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 38.57 62.0 1.2 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -116.01 142.49 46.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.634 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.586 HD11 HD21 ' B' ' 384' ' ' LEU . 34.3 tp -120.87 124.58 45.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.506 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.678 ' O ' HD12 ' B' ' 384' ' ' LEU . 0.5 OUTLIER -121.25 150.43 41.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.729 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 1.119 ' O ' ' HD3' ' B' ' 397' ' ' PRO . 21.1 m -119.37 118.8 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.61 ' C ' ' O ' ' B' ' 395' ' ' VAL . 8.6 p-10 -21.58 68.73 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.579 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 1.119 ' HD3' ' O ' ' B' ' 395' ' ' VAL . 40.5 Cg_endo . . . . . 0 C--N 1.305 -1.744 0 C-N-CA 122.863 2.375 . . . . 0.0 112.084 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.4 p -83.31 158.2 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.3 t -132.14 117.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -124.56 172.72 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.567 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.567 ' O ' HG22 ' A' ' 65' ' ' VAL . 5.5 tt0 -162.39 132.74 4.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -78.45 129.92 35.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.714 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.638 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 27.9 m -130.87 123.8 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -80.64 126.45 31.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.8 mm -89.12 104.87 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.472 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.866 HG22 ' O ' ' A' ' 10' ' ' THR . 20.8 m -82.62 57.13 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 10' ' ' THR . 80.4 m-20 62.63 23.87 14.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -164.79 99.57 0.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -5.12 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 19' ' ' PRO . . . 120.28 138.03 5.53 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.648 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 4.2 tpp 41.46 -142.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.583 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 7.9 t-160 -128.26 76.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 73.28 -20.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 3.7 mpt_? -47.92 -50.67 52.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.594 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 15' ' ' MET . 50.1 Cg_exo -48.56 -51.56 10.07 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.832 2.355 . . . . 0.0 112.102 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.13 91.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 21' ' ' MET . 1.8 tmt? -66.06 -41.49 90.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -37.56 87.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.549 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 23' ' ' LEU . 10.6 tp -49.37 -45.88 46.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.593 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CD1' ' CE1' ' B' ' 247' ' ' HIS . 0.3 OUTLIER -57.43 -39.06 75.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.622 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -74.36 -33.98 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.374 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.606 HD12 ' CE1' ' A' ' 30' ' ' PHE . 3.4 mm? -68.08 -42.53 80.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.594 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.446 ' HG2' HG22 ' A' ' 34' ' ' VAL . 53.6 mtp -56.04 -34.03 65.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -79.16 -33.35 44.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.587 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.87 -30.16 39.87 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CE1' HD12 ' A' ' 26' ' ' LEU . 18.3 m-30 -107.82 151.26 25.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.638 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 65.8 t0 -95.06 96.71 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 165.34 154.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.529 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -99.57 129.55 45.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.994 ' C ' HD22 ' A' ' 35' ' ' LEU . 35.5 m -106.99 132.21 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.496 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.994 HD22 ' C ' ' A' ' 34' ' ' VAL . 1.7 mm? -133.42 138.59 46.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.18 150.87 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.821 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.39 134.12 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.464 ' ND2' ' HB2' ' A' ' 58' ' ' ALA . 14.8 t-20 -90.4 156.94 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.461 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -53.4 -28.06 27.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -67.36 -11.17 57.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.67 11.5 59.17 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.9 p -84.34 117.21 23.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -78.13 102.97 7.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.558 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.654 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.07 65.54 7.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -40.91 121.17 1.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.624 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.42 -10.79 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -99.8 29.8 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.44 122.49 10.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.574 HG23 HD11 ' B' ' 248' ' ' LEU . 14.4 p -62.58 -36.01 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 51' ' ' ALA . 30.1 pt -61.15 -38.19 79.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.626 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.654 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -64.81 -42.57 94.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.625 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 52' ' ' LEU . 85.4 mt -58.35 -37.91 76.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.565 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' B' ' 283' ' ' PHE . 92.7 mt -65.66 -36.76 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.8 mtp -67.44 -37.55 83.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.622 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.7 tp -61.96 -36.42 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.25 -34.94 48.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.678 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.5 m -76.86 -6.06 50.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.696 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . . . -83.63 29.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.514 ' H ' ' HG2' ' A' ' 59' ' ' LYS . 1.8 ptmt -69.16 97.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.638 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.78 5.37 38.86 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.14 164.46 11.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.37 144.07 27.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.821 HG23 ' O ' ' A' ' 37' ' ' ARG . 3.0 mt -131.16 161.73 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.573 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 33.9 tp10 -124.25 100.18 6.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 5' ' ' GLN . 24.0 m -80.33 128.44 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.601 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -120.82 138.35 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.622 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.16 130.7 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.639 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.457 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 8.7 t -123.72 128.78 50.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.467 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.471 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.63 161.26 8.71 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.429 ' O ' ' OE2' ' A' ' 73' ' ' GLU . 53.8 Cg_exo -46.99 -44.67 22.54 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.83 2.353 . . . . 0.0 112.094 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.516 ' CD ' ' H ' ' A' ' 31' ' ' ASP . 29.3 mt-30 -94.53 7.27 46.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.569 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 19.7 pt-20 -38.31 -38.17 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.594 ' HG2' ' H ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -63.68 -48.96 75.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.564 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.594 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 19.8 mt-10 -57.63 -50.63 72.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.51 77.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.1 -44.15 89.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.613 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.43 99.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.483 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.493 ' O ' HD13 ' A' ' 82' ' ' LEU . . . -60.94 -43.68 98.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 23' ' ' LEU . 78.9 t -66.81 -42.07 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.497 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.476 HD11 HG21 ' A' ' 65' ' ' VAL . 1.1 mp -64.7 -41.43 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.22 -35.69 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 78' ' ' ALA . 5.4 mp -73.53 -38.64 65.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.412 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.691 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.59 -23.44 60.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.57 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -90.77 -1.47 57.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.571 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 170' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' B' ' 393' ' ' LEU . 7.4 ptm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 36.6 mm -98.48 124.71 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -81.21 109.49 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.464 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -112.19 157.04 21.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.559 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.86 118.89 65.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -72.73 111.0 3.14 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.826 2.35 . . . . 0.0 112.147 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -95.82 -53.03 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -120.65 108.94 36.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.5 166.06 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.774 2.316 . . . . 0.0 112.161 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 179' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 106.37 176.9 23.4 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 180' ' ' VAL . . . . . 0.405 HG22 ' N ' ' B' ' 181' ' ' ALA . 2.9 p -134.18 153.62 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.575 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 181' ' ' ALA . . . . . 0.405 ' N ' HG22 ' B' ' 180' ' ' VAL . . . -149.76 147.27 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 182' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 6.4 mt -129.94 124.09 57.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.433 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 178.16 176.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 184' ' ' GLU . . . . . 0.55 ' HB2' ' CE2' ' B' ' 323' ' ' PHE . 98.9 mt-10 -79.07 168.18 20.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.451 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -99.93 116.01 5.46 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 186' ' ' TRP . . . . . 0.467 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 4.6 t-105 -103.98 140.78 37.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.716 0.293 . . . . 0.0 110.535 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 187' ' ' GLN . . . . . 0.489 ' CD ' ' H ' ' B' ' 187' ' ' GLN . 2.9 pm0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.808 0.337 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 0.409 HD11 ' HA2' ' B' ' 265' ' ' GLY . 10.5 mp -51.71 128.62 24.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.591 ' OD1' ' OE2' ' B' ' 208' ' ' GLU . 23.6 p-10 -156.63 55.11 0.98 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.624 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' B' ' 209' ' ' ARG . 53.9 Cg_exo -47.23 -64.82 0.21 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.871 2.381 . . . . 0.0 112.068 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -40.47 -47.73 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.54 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 207' ' ' LEU . . . . . 0.735 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 3.2 tp -76.33 -39.7 53.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.489 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.633 ' HG3' ' HB2' ' B' ' 268' ' ' ALA . 1.4 tp10 -69.35 -63.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.487 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 209' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' B' ' 205' ' ' PRO . 0.1 OUTLIER -44.12 -52.07 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.93 -37.69 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.427 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.735 ' HB2' ' O ' ' B' ' 207' ' ' LEU . 1.9 ttt-85 -57.53 -48.37 79.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.488 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.487 HD21 ' HB1' ' B' ' 268' ' ' ALA . 71.4 mt -62.61 -52.95 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.466 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 40.5 p -54.74 -47.96 73.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.385 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.97 95.53 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 215' ' ' ALA . . . . . 0.55 ' CB ' HD22 ' B' ' 309' ' ' LEU . . . -70.86 -43.36 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.415 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' B' ' 220' ' ' ALA . 31.0 mt -59.66 -49.1 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.417 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 0.2 OUTLIER -49.42 -34.04 15.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.418 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 218' ' ' GLU . . . . . 0.511 ' CD ' ' HD1' ' B' ' 308' ' ' HIS . 32.4 tt0 -78.34 -33.98 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.366 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -87.5 -49.48 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.371 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.621 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.58 -51.99 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.486 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 8.7 m120 -62.91 -34.16 76.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.4 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 222' ' ' GLU . . . . . 0.476 ' OE1' ' NH1' ' B' ' 304' ' ' ARG . 25.6 tt0 -68.54 -34.25 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.483 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.38 -45.22 88.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.411 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.92 -38.56 91.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 15.4 ttm105 -67.12 -31.05 71.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.509 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 226' ' ' TYR . . . . . 0.779 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 2.5 m-85 -64.68 -60.86 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.79 -47.53 30.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.526 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -58.08 -37.49 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.519 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 229' ' ' ARG . . . . . 0.431 HH12 ' HA ' ' B' ' 339' ' ' PRO . 3.1 mtp180 -68.09 -42.4 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.521 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.716 ' CD2' HG21 ' B' ' 238' ' ' THR . 19.2 m-85 -67.62 -45.33 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -54.73 -26.77 36.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.53 -22.38 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 233' ' ' GLY . . . . . 0.602 ' O ' ' C ' ' B' ' 234' ' ' ALA . . . -164.06 -113.93 0.3 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.602 ' C ' ' O ' ' B' ' 233' ' ' GLY . . . 21.63 -139.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.482 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.449 ' NE2' ' OE1' ' B' ' 237' ' ' GLU . 0.1 OUTLIER -111.62 154.79 24.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -71.15 -19.83 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.502 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.449 ' OE1' ' NE2' ' B' ' 235' ' ' GLN . 5.2 tm-20 -62.05 -44.86 95.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.634 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.716 HG21 ' CD2' ' B' ' 230' ' ' PHE . 4.1 m -58.42 -53.81 54.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.505 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -51.3 -44.28 61.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 240' ' ' ALA . . . . . 0.479 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . . . -62.34 -30.49 71.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.598 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.473 ' HA ' HD13 ' B' ' 241' ' ' ILE . 9.9 mm -70.99 -65.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.501 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 242' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.72 -58.21 8.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -45.45 -39.5 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 244' ' ' LEU . . . . . 1.066 ' C ' HD13 ' B' ' 244' ' ' LEU . 0.4 OUTLIER -71.83 -37.24 70.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.789 ' N ' HD13 ' B' ' 244' ' ' LEU . 0.3 OUTLIER -72.72 -34.52 67.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 52.8 p -48.36 -53.63 16.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.68 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.532 ' C ' ' ND1' ' B' ' 247' ' ' HIS . 0.1 OUTLIER -75.39 -34.47 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.52 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 0.5 OUTLIER -63.29 -43.2 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.87 HD12 HD11 ' B' ' 301' ' ' LEU . 0.3 OUTLIER -72.35 -43.19 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 250' ' ' SER . . . . . 0.835 ' N ' HD23 ' B' ' 249' ' ' LEU . 87.9 p -68.79 -11.6 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.827 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 49.4 p30 -45.86 127.35 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 252' ' ' THR . . . . . 0.477 ' O ' ' CG ' ' B' ' 256' ' ' ARG . 4.3 t -58.62 1.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.662 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.549 ' H ' ' C ' ' B' ' 251' ' ' ASP . 30.6 ttp-105 -85.21 -49.15 8.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 6.4 tp -71.79 -46.48 58.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.429 HH21 ' HD3' ' B' ' 255' ' ' ARG . 30.8 ttp-105 -59.27 -55.51 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 256' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' B' ' 252' ' ' THR . 22.4 mmt85 -56.52 -40.79 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 257' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 20.4 mm-40 -54.5 -46.0 73.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.594 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.503 HD12 HG11 ' B' ' 275' ' ' VAL . 7.2 mp -57.75 -58.65 7.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.654 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 259' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' B' ' 259' ' ' PHE . 0.0 OUTLIER -55.94 -30.96 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.695 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 260' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -59.29 -42.42 91.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.73 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 261' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' B' ' 264' ' ' LYS . 4.6 tp10 -64.46 -38.13 89.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.613 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 262' ' ' VAL . . . . . 0.467 HG21 ' HG2' ' B' ' 208' ' ' GLU . 62.0 t -66.73 -37.14 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.598 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -13.77 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 264' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' B' ' 261' ' ' GLU . 0.0 OUTLIER -92.31 -18.03 23.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.623 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 265' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' B' ' 264' ' ' LYS . . . 121.6 18.51 3.64 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 54.0 m -102.73 166.49 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 110.485 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 267' ' ' VAL . . . . . 0.476 HG23 ' H ' ' B' ' 270' ' ' TRP . 31.7 m -104.38 154.96 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.633 ' HB2' ' HG3' ' B' ' 208' ' ' GLU . . . -57.04 -45.87 82.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.56 -64.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 270' ' ' TRP . . . . . 0.476 ' H ' HG23 ' B' ' 267' ' ' VAL . 5.7 t90 -68.14 -44.11 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -50.77 -47.94 59.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.732 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.529 HG13 HD23 ' B' ' 305' ' ' LEU . 71.2 t -59.26 -41.76 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.405 ' O ' ' OE1' ' B' ' 277' ' ' GLU . 6.1 tttt -77.07 -46.08 24.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.69 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 274' ' ' THR . . . . . 0.453 ' O ' ' N ' ' B' ' 278' ' ' LYS . 93.0 m -58.2 -56.21 24.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.681 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 271' ' ' ALA . 85.5 t -50.75 -55.82 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.438 HD13 ' O ' ' B' ' 272' ' ' VAL . 1.2 mp -55.26 -38.7 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.656 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' B' ' 281' ' ' GLU . 1.0 OUTLIER -75.99 -33.91 59.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.574 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 278' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' B' ' 274' ' ' THR . 12.5 ttpt -72.86 -32.17 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.625 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 279' ' ' PHE . . . . . 0.526 ' O ' ' HD2' ' B' ' 283' ' ' PHE . 0.5 OUTLIER -87.2 -15.82 37.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 280' ' ' ALA . . . . . 0.844 ' O ' ' HB2' ' B' ' 284' ' ' ALA . . . -76.37 -39.12 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.502 ' HA ' ' HB3' ' B' ' 284' ' ' ALA . 3.5 mm-40 -85.46 -30.11 23.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -59.7 -49.81 76.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.592 ' CD1' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -87.28 -28.65 22.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 284' ' ' ALA . . . . . 0.844 ' HB2' ' O ' ' B' ' 280' ' ' ALA . . . -61.79 -14.53 33.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -72.16 -11.32 60.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.684 ' CB ' HD22 ' B' ' 291' ' ' LEU . 3.6 mm? -73.68 173.94 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 61.0 m -112.68 -26.5 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.698 ' O ' HD23 ' B' ' 291' ' ' LEU . 0.1 OUTLIER -42.18 128.67 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.594 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 289' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' B' ' 290' ' ' TYR . 17.3 p-10 -57.61 -49.79 75.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.516 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 290' ' ' TYR . . . . . 0.653 ' O ' ' HG3' ' B' ' 293' ' ' GLU . 43.5 t80 -47.48 -25.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.831 ' HG ' ' N ' ' B' ' 292' ' ' LYS . 0.5 OUTLIER -75.68 -45.46 36.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.831 ' N ' ' HG ' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -49.82 -45.69 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.533 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 293' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -72.22 -27.96 62.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.391 179.81 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.597 ' NH1' ' OH ' ' B' ' 290' ' ' TYR . 8.7 tpp180 -61.72 -42.61 99.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.484 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -52.78 -49.4 65.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.454 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -50.77 -44.39 48.46 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.517 ' HB3' ' CE1' ' B' ' 245' ' ' TYR . 7.8 m-20 -67.26 -42.59 83.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.33 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -51.25 70.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.298 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -53.5 -43.65 68.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.332 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 300' ' ' ALA . . . . . 0.499 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -64.04 -39.7 94.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.255 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.87 HD11 HD12 ' B' ' 249' ' ' LEU . 5.3 tt -58.71 -42.83 89.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.374 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -64.37 -42.65 97.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -58.79 -40.67 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.311 . . . . 0.0 110.296 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.476 ' NH1' ' OE1' ' B' ' 222' ' ' GLU . 10.5 mtp180 -75.27 -40.67 58.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.408 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 305' ' ' LEU . . . . . 0.529 HD23 HG13 ' B' ' 272' ' ' VAL . 3.3 tp -63.54 -41.71 98.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.415 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 306' ' ' LEU . . . . . 0.401 ' O ' HD23 ' B' ' 306' ' ' LEU . 6.9 tt -69.71 -34.77 74.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.322 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -66.98 -40.49 87.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.466 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 308' ' ' HIS . . . . . 0.511 ' HD1' ' CD ' ' B' ' 218' ' ' GLU . 55.3 m-70 -72.58 -24.51 61.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.55 HD22 ' CB ' ' B' ' 215' ' ' ALA . 0.5 OUTLIER -69.76 -7.85 43.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -139.4 73.64 1.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.825 0.345 . . . . 0.0 110.582 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 0.2 OUTLIER 172.52 166.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.559 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.433 HG13 ' HB3' ' B' ' 183' ' ' ALA . 70.3 mt -116.18 137.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 56.0 tp -78.71 121.26 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.6 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.43 HG11 HD12 ' B' ' 379' ' ' LEU . 60.5 t -117.41 113.67 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.621 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -151.17 156.94 41.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -68.42 -21.77 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -155.4 157.8 37.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.607 HD12 ' H ' ' B' ' 330' ' ' LEU . 0.3 OUTLIER -93.53 127.33 39.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 331' ' ' SER . . . . . 0.498 ' OG ' ' OG1' ' B' ' 334' ' ' THR . 0.3 OUTLIER -126.8 131.25 51.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.55 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.62 82.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' B' ' 300' ' ' ALA . 14.2 p -64.95 -36.04 83.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 334' ' ' THR . . . . . 0.498 ' OG1' ' OG ' ' B' ' 331' ' ' SER . 98.2 m -67.25 -53.67 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' B' ' 337' ' ' GLU . 2.6 tt -55.45 -29.26 58.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 336' ' ' ALA . . . . . 0.779 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -75.06 12.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' B' ' 335' ' ' LEU . 94.6 mt-10 -100.72 -31.14 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.61 145.88 34.78 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 339' ' ' PRO . . . . . 0.431 ' HA ' HH12 ' B' ' 229' ' ' ARG . 50.7 Cg_endo -72.73 157.1 52.58 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.748 2.299 . . . . 0.0 112.196 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -71.97 -20.64 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.71 -45.93 91.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.45 ' O ' HG23 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -82.59 -23.5 34.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.694 HD23 ' H ' ' B' ' 345' ' ' GLY . 2.1 tt -75.32 103.01 5.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 342' ' ' ARG . 1.4 t -121.61 20.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 345' ' ' GLY . . . . . 0.694 ' H ' HD23 ' B' ' 343' ' ' LEU . . . 162.48 161.59 12.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 25.4 t -145.55 150.77 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.576 0.227 . . . . 0.0 110.642 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 92.4 t -144.13 118.17 3.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.533 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.621 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 0.2 OUTLIER -117.48 151.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.605 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.5 -39.12 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 350' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' B' ' 351' ' ' GLY . 16.6 t70 -147.9 -91.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 351' ' ' GLY . . . . . 0.503 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 54.3 154.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -77.35 132.8 38.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.62 -13.58 59.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -98.95 3.83 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 79.3 p -70.35 155.11 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 356' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 18.9 pt20 -56.83 -42.21 79.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.489 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 357' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' B' ' 356' ' ' GLN . . . -62.08 -45.3 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.448 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.2 93.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.617 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 47.6 mm -74.17 -30.59 27.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 39.2 ttm -60.94 -48.25 82.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.495 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.448 HG12 ' N ' ' B' ' 362' ' ' ARG . 1.0 OUTLIER -67.36 -47.62 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.448 ' N ' HG12 ' B' ' 361' ' ' VAL . 8.0 ttp180 -58.14 -46.32 85.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.24 -22.92 64.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 364' ' ' LEU . . . . . 0.468 HD23 HG13 ' B' ' 366' ' ' ILE . 20.9 tp -75.24 -30.53 60.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.46 38.69 6.17 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 366' ' ' ILE . . . . . 0.468 HG13 HD23 ' B' ' 364' ' ' LEU . 42.2 mm -116.72 124.35 29.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.389 . . . . 0.0 110.521 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.44 132.96 20.28 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.902 2.402 . . . . 0.0 112.055 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 58.7 m -157.68 142.57 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.2 150.63 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.737 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 1.6 mtt -126.89 165.4 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.531 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.46 -6.79 61.32 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -55.5 111.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -93.75 35.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 38.0 mm -113.74 128.12 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.557 ' H ' ' CD ' ' B' ' 375' ' ' GLN . 9.4 pm0 -66.33 150.84 96.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.68 -20.0 23.58 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.773 2.315 . . . . 0.0 112.064 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 78.0 p -62.07 -41.29 98.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 74.7 t -74.54 -34.68 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.533 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.733 ' O ' ' N ' ' B' ' 381' ' ' ARG . 66.6 mt -68.16 -31.65 71.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.592 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER 23.45 -81.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.733 ' N ' ' O ' ' B' ' 379' ' ' LEU . 17.2 ptp180 -147.03 22.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 382' ' ' ARG . . . . . 0.479 ' NH2' ' OD2' ' B' ' 396' ' ' ASP . 1.7 ttt180 -68.32 174.5 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 88.2 m -79.36 123.48 27.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.92 115.61 24.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 80.1 mt -107.3 100.54 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.656 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.8 145.19 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.441 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.725 ' O ' ' N ' ' B' ' 391' ' ' GLY . 54.5 t0 -129.74 83.94 2.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.618 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 388' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -45.23 -45.27 10.43 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -54.5 42.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -90.57 -1.53 57.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.725 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 43.78 55.31 5.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 392' ' ' GLU . . . . . 0.564 ' O ' HD23 ' B' ' 393' ' ' LEU . 20.8 mt-10 -129.49 157.21 42.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' B' ' 173' ' ' ALA . 2.4 mt -127.48 128.77 46.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 10.2 mt -123.88 144.75 49.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.56 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.628 ' O ' ' C ' ' B' ' 396' ' ' ASP . 7.0 p -116.32 124.02 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.628 ' C ' ' O ' ' B' ' 395' ' ' VAL . 12.6 p30 15.93 62.4 0.16 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.534 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' B' ' 395' ' ' VAL . 50.6 Cg_endo . . . . . 0 C--N 1.305 -1.752 0 C-N-CA 122.948 2.432 . . . . 0.0 112.102 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ptp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -82.15 160.3 23.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -134.28 116.63 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.555 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -122.56 172.46 8.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.698 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -161.52 132.8 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -80.36 128.8 33.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.637 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 7' ' ' VAL . 9.5 p -130.13 125.58 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.409 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -81.73 125.57 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.916 HG12 HD11 ' A' ' 63' ' ' ILE . 23.3 mm -89.16 104.26 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.2 p -82.3 54.43 2.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 65.35 22.29 12.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 14' ' ' GLY . 10.9 tttt -161.27 97.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.643 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -62.14 -2.84 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 179.829 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.708 ' C ' ' SD ' ' A' ' 15' ' ' MET . . . 161.96 -35.98 0.37 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.991 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 173.61 -128.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.789 0.328 . . . . 0.0 110.557 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.693 ' N ' ' HG2' ' A' ' 15' ' ' MET . 83.1 t60 -88.95 -48.33 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 172.58 101.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 1.014 ' H ' ' CD ' ' A' ' 19' ' ' PRO . 1.2 ttt85 -167.53 -32.29 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 1.014 ' CD ' ' H ' ' A' ' 18' ' ' ARG . 35.1 Cg_endo -67.78 -41.38 8.16 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.789 2.326 . . . . 0.0 112.066 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -68.85 -39.89 79.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.2 ttp -72.64 -39.56 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.514 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 13.7 tptt -63.42 -36.96 85.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.559 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.847 HD22 HG21 ' A' ' 34' ' ' VAL . 1.5 mt -50.13 -44.85 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.654 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -56.95 -38.7 73.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -74.2 -34.11 63.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.526 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.66 -40.91 79.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ttm -56.61 -32.09 64.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.655 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -81.29 -35.31 31.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.19 -30.67 45.27 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.537 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 29.4 m-85 -106.85 149.46 27.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.588 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.755 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 2.0 m-20 -93.82 96.64 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 165.74 154.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.53 130.15 45.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.864 ' O ' HD12 ' A' ' 35' ' ' LEU . 28.8 m -107.57 132.67 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.864 HD12 ' O ' ' A' ' 34' ' ' VAL . 3.4 mp -134.49 137.75 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 36' ' ' LEU . 6.6 mp -108.4 151.25 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.642 ' O ' HG22 ' A' ' 63' ' ' ILE . 25.3 ttm-85 -148.51 134.01 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.652 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.569 ' HA ' ' CG2' ' A' ' 63' ' ' ILE . 57.5 m-80 -89.86 156.85 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 64.0 t0 -53.46 -27.99 27.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -67.6 -10.37 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.94 11.65 59.98 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.6 m -84.58 116.98 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -77.78 103.5 7.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.652 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.78 65.56 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.49 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -40.85 121.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -9.28 10.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.578 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -100.4 27.36 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.532 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.76 122.76 11.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.544 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.706 ' O ' HD13 ' A' ' 53' ' ' LEU . 75.3 t -62.37 -36.18 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.47 HG22 ' HE1' ' B' ' 283' ' ' PHE . 17.2 pt -60.7 -38.3 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.652 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -64.62 -43.21 94.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.506 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.413 HD22 ' HB1' ' A' ' 20' ' ' ALA . 97.3 mt -58.09 -38.12 75.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 49' ' ' VAL . 11.0 mp -65.14 -36.62 84.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.592 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.5 mtt -67.5 -38.89 85.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 55' ' ' LEU . 1.7 tt -60.53 -36.12 77.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.647 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -52.3 -34.86 48.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.583 ' HB3' ' OD2' ' B' ' 288' ' ' ASP . 0.1 OUTLIER -76.82 -7.03 54.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.73 29.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.574 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 15.0 pttt -69.27 96.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.74 5.16 39.21 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.693 ' NH2' ' H ' ' A' ' 62' ' ' GLN . 0.4 OUTLIER -105.66 165.4 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.562 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.894 ' C ' HD13 ' A' ' 63' ' ' ILE . 1.7 tm0? -98.2 142.96 29.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.52 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.916 HD11 HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -129.32 163.06 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.586 ' OE1' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -125.74 99.5 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.513 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.598 HG11 HG21 ' A' ' 79' ' ' VAL . 21.5 t -79.89 129.47 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -122.13 140.39 52.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.48 131.5 27.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.685 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.7 t -121.91 141.81 50.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.92 -176.42 19.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.755 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -73.58 -36.22 4.03 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.802 2.335 . . . . 0.0 112.147 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.558 ' OE1' ' N ' ' A' ' 31' ' ' ASP . 91.8 mt-30 -99.29 4.55 46.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.573 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 71' ' ' GLN . 16.9 pt-20 -36.85 -42.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -58.32 -48.91 79.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' GLN . 25.9 mm-40 -59.11 -49.67 76.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.661 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.981 ' O ' HG13 ' A' ' 79' ' ' VAL . . . -58.39 -48.4 80.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.947 ' O ' HG22 ' A' ' 79' ' ' VAL . 2.7 tt -65.05 -43.71 91.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.14 99.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.544 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.01 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.981 HG13 ' O ' ' A' ' 75' ' ' ALA . 2.9 m -66.28 -42.09 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.493 ' N ' HG23 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -65.36 -40.96 90.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.55 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.425 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.67 -37.36 87.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -71.81 -38.39 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.5 m-85 -69.45 -31.51 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.612 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -83.03 -3.75 57.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 171' ' ' ILE . . . . . 0.516 HD13 ' OD1' ' B' ' 373' ' ' ASP . 85.6 mt -132.35 139.18 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 172' ' ' ARG . . . . . 0.673 ' H ' ' HD3' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -87.72 117.51 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 173' ' ' ALA . . . . . 0.953 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -115.19 156.8 24.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 174' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' B' ' 370' ' ' MET . 1.0 OUTLIER -71.91 114.9 32.85 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -72.54 116.06 4.57 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.802 2.335 . . . . 0.0 112.13 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -93.39 -27.69 16.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.484 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -153.08 109.93 2.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.42 152.14 2.6 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.902 2.401 . . . . 0.0 112.124 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 132.28 162.65 10.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.14 149.01 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -151.47 146.65 26.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 5.4 mt -123.63 122.12 64.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 183' ' ' ALA . . . . . 0.641 ' O ' HD13 ' B' ' 384' ' ' LEU . . . -169.3 -171.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.571 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 184' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' B' ' 382' ' ' ARG . 15.5 mt-10 -100.59 159.12 15.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 185' ' ' GLY . . . . . 0.535 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -87.44 126.62 8.08 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 186' ' ' TRP . . . . . 0.421 ' O ' HG12 ' B' ' 326' ' ' VAL . 63.7 t-105 -142.58 148.31 37.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 110.557 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.543 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.778 0.323 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 203' ' ' LEU . . . . . 0.573 ' H ' HD23 ' B' ' 203' ' ' LEU . 2.0 pt? -85.06 139.19 31.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.515 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 204' ' ' ASP . . . . . 0.64 ' OD1' ' HG2' ' B' ' 208' ' ' GLU . 0.1 OUTLIER -158.4 84.52 2.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.08 -29.59 12.61 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.838 2.358 . . . . 0.0 112.141 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -70.23 -43.57 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.564 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 207' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 5.3 mt -94.83 -33.12 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.462 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 208' ' ' GLU . . . . . 0.73 ' OE1' ' N ' ' B' ' 268' ' ' ALA . 8.8 mm-40 -65.23 -58.84 4.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.516 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.24 -46.55 79.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -68.6 -38.49 80.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 211' ' ' ARG . . . . . 0.599 ' NH2' ' HB3' ' B' ' 268' ' ' ALA . 0.1 OUTLIER -52.16 -50.18 62.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 212' ' ' LEU . . . . . 0.513 HD21 ' CG2' ' B' ' 272' ' ' VAL . 0.6 OUTLIER -70.73 -51.77 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.56 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 28.6 m -51.57 -54.92 22.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.557 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -57.67 -34.37 70.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 215' ' ' ALA . . . . . 0.7 ' CB ' HD22 ' B' ' 309' ' ' LEU . . . -69.75 -46.16 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.511 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 216' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.3 mp -55.1 -50.25 69.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 217' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 2.7 mm-40 -54.56 -27.96 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.528 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -81.28 -35.52 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 219' ' ' ALA . . . . . 0.418 ' HB2' ' CD2' ' B' ' 308' ' ' HIS . . . -97.09 -52.6 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 220' ' ' ALA . . . . . 0.692 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -49.42 -52.73 26.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 221' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 97.5 m-20 -65.36 -33.29 75.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -66.61 -40.46 88.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 223' ' ' PHE . . . . . 0.504 ' CZ ' ' NH1' ' B' ' 304' ' ' ARG . 5.0 m-85 -64.89 -45.81 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 224' ' ' ARG . . . . . 0.4 HH21 ' HD2' ' B' ' 224' ' ' ARG . 3.7 ttm105 -56.27 -55.79 28.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -61.06 -28.55 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -56.13 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.51 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.03 -50.04 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 228' ' ' LYS . . . . . 0.591 ' H ' ' HD2' ' B' ' 228' ' ' LYS . 0.2 OUTLIER -51.88 -43.4 63.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.616 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -64.83 -42.95 94.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 230' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' B' ' 234' ' ' ALA . 2.9 m-85 -65.51 -48.23 73.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.516 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 231' ' ' ALA . . . . . 0.635 ' HB2' ' CB ' ' B' ' 239' ' ' ALA . . . -50.19 -35.23 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.31 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.597 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -123.4 -67.75 0.22 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 234' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -51.32 179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.565 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 235' ' ' GLN . . . . . 0.434 ' HG3' ' H ' ' B' ' 235' ' ' GLN . 0.0 OUTLIER -79.73 171.82 14.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 236' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' B' ' 237' ' ' GLU . 64.5 pttt -65.19 -39.75 93.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' B' ' 236' ' ' LYS . 5.6 tt0 -49.52 -49.19 46.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 238' ' ' THR . . . . . 0.409 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -60.09 -58.93 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 239' ' ' ALA . . . . . 0.635 ' CB ' ' HB2' ' B' ' 231' ' ' ALA . . . -55.16 -42.4 73.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.476 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -66.99 -27.35 67.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 241' ' ' ILE . . . . . 0.469 HG22 ' N ' ' B' ' 242' ' ' PHE . 6.9 mt -70.54 -61.12 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.541 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 242' ' ' PHE . . . . . 0.779 ' CZ ' ' HB2' ' B' ' 336' ' ' ALA . 36.7 m-85 -54.71 -56.13 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 243' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' B' ' 242' ' ' PHE . 0.5 OUTLIER -36.65 -41.96 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.491 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 29.6 tp -70.75 -35.29 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 245' ' ' TYR . . . . . 0.599 ' N ' ' O ' ' B' ' 242' ' ' PHE . 9.1 m-30 -70.2 -43.32 70.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 35.2 m -45.36 -43.19 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.639 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 247' ' ' HIS . . . . . 0.569 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 0.7 OUTLIER -74.58 -26.28 59.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 248' ' ' LEU . . . . . 0.711 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 2.5 tt -62.32 -45.01 95.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 249' ' ' LEU . . . . . 0.556 HD23 HD23 ' B' ' 248' ' ' LEU . 5.8 mt -74.41 -42.89 58.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 54.3 p -73.5 -19.01 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 251' ' ' ASP . . . . . 0.884 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 50.4 p30 -52.12 128.42 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 4.9 t -60.0 -0.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 253' ' ' ARG . . . . . 0.568 HH21 HD12 ' B' ' 254' ' ' LEU . 3.8 tmt_? -76.43 -52.99 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 254' ' ' LEU . . . . . 0.568 HD12 HH21 ' B' ' 253' ' ' ARG . 0.0 OUTLIER -74.58 -36.98 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.613 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 255' ' ' ARG . . . . . 0.562 HH11 HH12 ' B' ' 256' ' ' ARG . 10.8 ttp-105 -61.03 -48.13 83.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 256' ' ' ARG . . . . . 0.562 HH12 HH11 ' B' ' 255' ' ' ARG . 9.3 mmp_? -64.06 -42.18 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.791 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.92 -49.82 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.721 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 258' ' ' LEU . . . . . 0.563 HD23 HG21 ' B' ' 275' ' ' VAL . 14.9 mt -57.17 -53.02 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 259' ' ' PHE . . . . . 0.67 ' O ' HG22 ' B' ' 262' ' ' VAL . 6.9 m-30 -57.49 -31.34 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.63 80.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -70.48 -48.43 55.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 262' ' ' VAL . . . . . 0.67 HG22 ' O ' ' B' ' 259' ' ' PHE . 2.4 m -60.5 -39.24 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 263' ' ' ASP . . . . . 0.458 ' N ' ' CG2' ' B' ' 262' ' ' VAL . 93.0 m-20 -64.54 -12.62 46.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -93.59 -19.37 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 122.98 12.58 4.82 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 266' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' B' ' 262' ' ' VAL . 45.9 t -92.76 153.65 18.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.576 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 267' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' B' ' 268' ' ' ALA . 82.6 t -98.6 143.88 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.541 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 268' ' ' ALA . . . . . 0.73 ' N ' ' OE1' ' B' ' 208' ' ' GLU . . . -37.9 -45.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 269' ' ' GLU . . . . . 0.421 ' H ' HG12 ' B' ' 267' ' ' VAL . 0.1 OUTLIER -47.66 -60.54 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -73.64 -39.23 64.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 271' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -47.22 -56.12 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 272' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 276' ' ' ILE . 82.1 t -63.42 -31.94 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 273' ' ' LYS . . . . . 0.688 ' O ' HG13 ' B' ' 276' ' ' ILE . 57.6 tttt -73.29 -40.49 64.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.7 m -66.62 -50.81 61.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 275' ' ' VAL . . . . . 0.563 HG21 HD23 ' B' ' 258' ' ' LEU . 69.3 t -50.56 -54.51 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 276' ' ' ILE . . . . . 0.921 HG23 ' O ' ' B' ' 272' ' ' VAL . 1.3 pp -57.82 -30.94 39.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 277' ' ' GLU . . . . . 0.565 ' N ' HG13 ' B' ' 276' ' ' ILE . 92.1 mt-10 -76.25 -34.67 59.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.684 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 278' ' ' LYS . . . . . 0.603 ' O ' ' CD ' ' B' ' 281' ' ' GLU . 5.2 mtpm? -64.3 -31.26 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 279' ' ' PHE . . . . . 0.556 ' C ' ' CD1' ' B' ' 279' ' ' PHE . 0.0 OUTLIER -79.06 -32.01 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -43.12 -48.45 6.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.6 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.603 ' CD ' ' O ' ' B' ' 278' ' ' LYS . 24.4 pm0 -82.65 -24.9 33.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 282' ' ' GLN . . . . . 0.502 ' N ' ' HG2' ' B' ' 281' ' ' GLU . 13.2 tt0 -60.0 -51.04 71.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 283' ' ' PHE . . . . . 0.47 ' HE1' HG22 ' A' ' 50' ' ' ILE . 8.2 m-30 -78.09 -30.92 49.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.619 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 284' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -54.97 -58.16 8.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 285' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -33.6 -40.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.476 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 286' ' ' LEU . . . . . 0.987 ' HB2' HD21 ' B' ' 291' ' ' LEU . 16.6 mt -79.11 151.23 31.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 94.7 p -111.16 -7.14 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 288' ' ' ASP . . . . . 0.791 ' CG ' HD23 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -50.21 120.51 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 289' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' B' ' 290' ' ' TYR . 6.0 p30 -58.62 -51.73 68.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.492 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 290' ' ' TYR . . . . . 0.539 ' N ' ' OD1' ' B' ' 289' ' ' ASN . 57.6 t80 -48.79 -35.94 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 291' ' ' LEU . . . . . 0.987 HD21 ' HB2' ' B' ' 286' ' ' LEU . 0.3 OUTLIER -91.1 -41.89 10.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 292' ' ' LYS . . . . . 0.73 ' N ' ' HG ' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -41.46 -53.21 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.456 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 293' ' ' GLU . . . . . 0.428 ' OE2' ' CD ' ' B' ' 356' ' ' GLN . 0.1 OUTLIER -65.61 -38.08 88.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.397 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 294' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' B' ' 291' ' ' LEU . 12.8 tpp85 -45.12 -40.6 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.373 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -50.36 -47.62 56.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -53.06 -42.38 61.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 297' ' ' ASP . . . . . 0.537 ' OD2' HG23 ' B' ' 333' ' ' THR . 1.0 OUTLIER -63.3 -40.92 98.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.813 0.34 . . . . 0.0 110.285 179.816 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 298' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' B' ' 279' ' ' PHE . 1.6 mm? -55.55 -46.3 77.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.295 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -56.61 -41.88 77.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.249 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.18 95.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.263 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.468 HD22 HD11 ' B' ' 249' ' ' LEU . 58.1 mt -61.26 -42.42 98.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.326 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.41 -42.56 98.99 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -39.95 86.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.354 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 304' ' ' ARG . . . . . 0.504 ' NH1' ' CZ ' ' B' ' 223' ' ' PHE . 15.3 mmm-85 -65.04 -41.04 95.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.402 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 305' ' ' LEU . . . . . 0.498 HD21 HD11 ' B' ' 216' ' ' LEU . 4.6 mp -60.78 -39.52 89.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 306' ' ' LEU . . . . . 0.563 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.6 OUTLIER -65.28 -37.37 86.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.293 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.45 -45.09 80.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.351 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 308' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' B' ' 219' ' ' ALA . 76.8 m-70 -71.04 -23.86 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.44 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 309' ' ' LEU . . . . . 0.7 HD22 ' CB ' ' B' ' 215' ' ' ALA . 0.4 OUTLIER -63.05 -15.49 56.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.504 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 310' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 0.0 OUTLIER -123.89 108.44 12.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.499 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 322' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.853 0.359 . . . . 0.0 110.584 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 323' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' B' ' 322' ' ' ARG . 49.9 p90 178.35 169.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 324' ' ' ILE . . . . . 0.469 ' C ' HD12 ' B' ' 324' ' ' ILE . 2.3 pp -107.13 156.47 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 33.2 tp -94.71 114.81 26.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 326' ' ' VAL . . . . . 0.722 HG13 ' O ' ' B' ' 326' ' ' VAL . 7.8 p -114.13 93.92 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.699 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -128.7 163.1 25.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.528 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 328' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 43.2 p-10 -71.83 -27.46 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.542 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 329' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 9.7 pt-20 -144.37 135.3 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.839 HD23 HG22 ' B' ' 348' ' ' VAL . 0.2 OUTLIER -83.28 126.38 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.477 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 6.0 t -137.1 130.52 31.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.44 -38.57 63.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 333' ' ' THR . . . . . 0.537 HG23 ' OD2' ' B' ' 297' ' ' ASP . 11.6 p -53.42 -43.13 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 98.7 m -59.18 -47.32 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.493 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.461 HD11 HD22 ' B' ' 343' ' ' LEU . 0.8 OUTLIER -58.79 -30.87 67.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 336' ' ' ALA . . . . . 0.779 ' HB2' ' CZ ' ' B' ' 242' ' ' PHE . . . -64.37 -3.52 3.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.51 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -93.64 -41.48 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.477 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.75 147.66 37.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.7 143.21 37.18 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.815 2.343 . . . . 0.0 112.181 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 340' ' ' GLN . . . . . 0.403 HE22 ' CD2' ' B' ' 364' ' ' LEU . 1.7 mt-30 -61.29 -20.98 63.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -62.49 -43.21 99.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -76.95 -22.14 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.502 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.461 HD22 HD11 ' B' ' 335' ' ' LEU . 15.5 tp -69.6 114.75 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.95 7.25 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 174.37 164.27 29.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.526 ' HB ' HG23 ' B' ' 368' ' ' THR . 0.2 OUTLIER -141.56 139.66 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.936 0.398 . . . . 0.0 110.649 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.78 127.14 44.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.521 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 348' ' ' VAL . . . . . 0.839 HG22 HD23 ' B' ' 330' ' ' LEU . 1.4 t -126.97 146.59 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.616 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 349' ' ' ARG . . . . . 0.42 ' NH1' ' OE1' ' B' ' 375' ' ' GLN . 49.9 mtp180 -90.79 -37.17 13.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.473 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -135.81 -132.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . 71.28 167.25 7.83 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -108.54 145.29 35.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 110.583 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.58 -15.07 63.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -82.32 1.29 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 355' ' ' SER . . . . . 0.448 ' OG ' ' HB2' ' B' ' 358' ' ' ALA . 83.5 p -63.9 153.68 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.588 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 356' ' ' GLN . . . . . 0.428 ' CD ' ' OE2' ' B' ' 293' ' ' GLU . 15.1 pt20 -63.81 -43.32 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.61 94.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 358' ' ' ALA . . . . . 0.448 ' HB2' ' OG ' ' B' ' 355' ' ' SER . . . -58.56 -41.3 85.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.9 mt -73.32 -28.94 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 360' ' ' MET . . . . . 0.649 ' O ' HD13 ' B' ' 364' ' ' LEU . 15.5 tmm? -66.8 -48.79 67.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.512 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 361' ' ' VAL . . . . . 0.523 HG23 ' N ' ' B' ' 362' ' ' ARG . 23.7 m -66.7 -45.84 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 362' ' ' ARG . . . . . 0.523 ' N ' HG23 ' B' ' 361' ' ' VAL . 18.0 ttp180 -61.64 -42.77 99.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.27 -24.36 63.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 364' ' ' LEU . . . . . 0.649 HD13 ' O ' ' B' ' 360' ' ' MET . 2.2 mp -73.35 -25.45 60.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 96.18 36.31 5.23 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 366' ' ' ILE . . . . . 0.682 ' CG2' ' HD2' ' B' ' 367' ' ' PRO . 34.7 mm -116.73 142.99 30.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.58 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 367' ' ' PRO . . . . . 0.682 ' HD2' ' CG2' ' B' ' 366' ' ' ILE . 53.3 Cg_endo -73.34 126.99 11.46 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.816 2.344 . . . . 0.0 112.126 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 368' ' ' THR . . . . . 0.526 HG23 ' HB ' ' B' ' 346' ' ' VAL . 87.9 m -137.36 145.09 42.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.612 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.14 147.0 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 370' ' ' MET . . . . . 0.953 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 6.0 mtt -126.94 163.32 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.91 -9.63 61.85 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -57.77 119.18 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 373' ' ' ASP . . . . . 0.516 ' OD1' HD13 ' B' ' 171' ' ' ILE . 33.2 p30 -108.24 54.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.579 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 29.9 mm -111.86 122.35 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.609 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 375' ' ' GLN . . . . . 0.42 ' OE1' ' NH1' ' B' ' 349' ' ' ARG . 6.7 mm100 -59.41 115.73 13.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.56 -39.29 29.35 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.781 2.321 . . . . 0.0 112.172 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 82.3 p -51.74 -49.33 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.66 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.09 -36.45 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 379' ' ' LEU . . . . . 0.71 ' O ' ' N ' ' B' ' 381' ' ' ARG . 48.6 mt -65.29 -31.49 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 380' ' ' HIS . . . . . 0.54 ' C ' ' O ' ' B' ' 379' ' ' LEU . 2.0 t60 26.41 -83.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 381' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.0 OUTLIER -146.23 26.09 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 382' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' B' ' 184' ' ' GLU . 6.7 mtt-85 -68.39 178.41 1.98 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 383' ' ' THR . . . . . 0.467 ' O ' ' OD1' ' B' ' 396' ' ' ASP . 92.4 m -97.74 134.44 40.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 384' ' ' LEU . . . . . 1.092 HD22 ' O ' ' B' ' 384' ' ' LEU . 0.0 OUTLIER -146.23 127.45 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.534 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 385' ' ' ILE . . . . . 0.509 HD12 ' N ' ' B' ' 385' ' ' ILE . 4.3 mp -103.1 128.46 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.68 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 8.8 m -104.55 146.06 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.471 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 387' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' B' ' 391' ' ' GLY . 67.1 t0 -134.1 83.56 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.514 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -57.37 -38.56 87.41 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.23 -54.2 34.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.593 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 390' ' ' ARG . . . . . 0.474 ' O ' ' HG3' ' B' ' 390' ' ' ARG . 0.0 OUTLIER -95.28 -5.97 42.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 391' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 56.13 64.12 4.68 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 392' ' ' GLU . . . . . 0.464 ' HG2' ' H ' ' B' ' 393' ' ' LEU . 0.9 OUTLIER -143.4 157.19 44.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.529 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.464 ' H ' ' HG2' ' B' ' 392' ' ' GLU . 50.3 tp -125.44 126.36 44.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.501 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 394' ' ' LEU . . . . . 0.681 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 15.8 mt -99.67 141.59 32.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 395' ' ' VAL . . . . . 0.768 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 0.0 OUTLIER -117.47 99.07 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.536 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 396' ' ' ASP . . . . . 0.567 ' N ' ' CD ' ' B' ' 397' ' ' PRO . 0.1 OUTLIER 28.04 47.93 0.22 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 397' ' ' PRO . . . . . 0.768 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 39.3 Cg_endo . . . . . 0 C--N 1.304 -1.765 0 C-N-CA 122.885 2.39 . . . . 0.0 112.155 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.611 HG22 ' OG1' ' A' ' 68' ' ' THR . 71.1 p -82.91 159.96 22.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 1.149 HG21 ' OE1' ' A' ' 72' ' ' GLU . 16.8 m -134.62 118.29 25.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -125.07 174.32 8.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.622 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -163.22 131.86 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 6' ' ' THR . 14.8 t -77.98 129.23 35.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.44 123.62 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.46 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.622 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -80.26 126.81 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.559 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.4 mt -90.16 105.84 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.662 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.497 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -82.98 55.13 2.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.51 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 63.81 25.44 14.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.52 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 3.2 ttpt -165.96 97.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.976 ' H ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -61.98 -1.56 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.515 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . 147.97 -124.18 1.85 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.32 98.67 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.434 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 54.56 -96.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.479 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . . . -144.08 -0.16 1.03 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.551 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.616 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 14.6 mmp_? -52.33 -45.96 94.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.545 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.616 ' HD3' ' HB2' ' A' ' 18' ' ' ARG . 52.3 Cg_exo -47.63 -49.43 13.44 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.853 2.369 . . . . 0.0 112.134 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.0 90.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.647 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -69.43 -43.33 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.18 -37.88 86.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.945 HD21 HG22 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -48.65 -43.69 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.525 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.35 -36.27 75.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.675 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -76.27 -34.63 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.896 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 96.6 mt -68.0 -40.96 82.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.825 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 2.8 tpp -58.24 -27.91 64.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.2 -28.71 22.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.599 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.9 -25.04 35.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.896 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 2.0 p90 -119.44 135.7 54.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.574 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.751 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 29.9 t0 -77.75 110.82 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.601 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.772 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 155.13 148.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -98.23 129.07 44.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.61 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.783 ' O ' HD12 ' A' ' 35' ' ' LEU . 6.5 p -106.82 132.47 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 34' ' ' VAL . 5.8 mp -133.54 138.56 46.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.778 ' C ' ' HG2' ' A' ' 37' ' ' ARG . 4.2 mp -108.87 149.42 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.477 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.778 ' HG2' ' C ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -146.15 134.28 21.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.499 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.489 ' ND2' ' SD ' ' A' ' 54' ' ' MET . 67.1 m-80 -90.72 155.36 18.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -52.82 -26.99 16.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 34.5 tt0 -68.82 -9.93 53.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.549 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' OE2' ' A' ' 43' ' ' GLU . . . 91.44 12.14 60.06 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -85.3 116.48 23.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -77.69 103.04 7.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.63 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.643 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.27 65.39 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.553 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -40.64 120.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.6 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -62.7 -10.17 11.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -99.7 28.46 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.548 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -146.55 123.8 11.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.1 m -63.75 -35.61 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.446 HD11 ' CZ ' ' B' ' 279' ' ' PHE . 60.5 mt -61.47 -37.0 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.507 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.643 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.65 -42.45 91.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.6 tp -58.23 -38.78 77.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.615 ' O ' HD13 ' B' ' 286' ' ' LEU . 34.1 mt -65.18 -36.75 85.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.534 ' CE ' HH12 ' A' ' 61' ' ' ARG . 1.9 tmt? -67.89 -36.79 80.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.1 tp -62.69 -36.06 81.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -52.72 -35.19 55.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.9 p -76.19 -6.59 51.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.25 29.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 59' ' ' LYS . 16.9 ptmt -69.84 97.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.02 4.72 38.67 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.534 HH12 ' CE ' ' A' ' 54' ' ' MET . 24.1 mtm180 -105.47 165.44 11.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.745 0.307 . . . . 0.0 110.546 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.61 143.15 29.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.42 ' CD1' HG13 ' A' ' 65' ' ' VAL . 1.1 pt -130.02 163.64 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.589 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -126.09 100.6 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.444 HG22 ' H ' ' A' ' 65' ' ' VAL . 0.8 OUTLIER -80.52 129.44 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 1.5 pt-20 -121.76 139.47 53.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.533 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 3' ' ' VAL . . . -138.42 131.48 29.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.622 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.611 ' OG1' HG22 ' A' ' 2' ' ' THR . 56.1 m -121.91 140.76 52.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.615 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.826 ' O ' ' HG3' ' A' ' 72' ' ' GLU . . . 133.52 -177.11 19.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -72.62 -37.01 4.37 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.839 2.359 . . . . 0.0 112.13 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.1 mt-30 -97.9 3.89 49.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.594 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 1.149 ' OE1' HG21 ' A' ' 3' ' ' VAL . 1.2 pp20? -35.86 -42.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.569 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.855 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 4.1 tp10 -57.86 -50.01 74.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.4 tm-20 -57.87 -52.52 65.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.796 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.26 -49.82 71.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.574 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.622 HD21 ' HB2' ' A' ' 5' ' ' GLN . 62.2 tp -64.29 -44.64 91.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.606 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.42 99.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.645 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.945 HG22 HD21 ' A' ' 23' ' ' LEU . 24.4 t -66.45 -43.18 91.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -64.22 -41.32 92.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.504 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.22 -37.06 85.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.56 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.21 -37.16 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.72 -32.36 70.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.553 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 85' ' ' SER . 62.3 m-80 -82.41 -5.73 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 3.3 m . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.49 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 170' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' B' ' 393' ' ' LEU . 4.7 ttt85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 27.0 mm -108.86 132.61 56.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -87.63 109.93 20.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.573 ' HB2' HD11 ' B' ' 393' ' ' LEU . . . -118.74 149.6 41.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.6 ' N ' HD22 ' B' ' 174' ' ' LEU . 3.7 mm? -73.05 117.56 61.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 175' ' ' PRO . . . . . 0.454 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 49.3 Cg_endo -72.75 112.09 3.41 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.789 2.326 . . . . 0.0 112.108 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -90.81 -22.77 20.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -147.64 108.86 3.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.47 161.29 0.29 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.82 2.347 . . . . 0.0 112.128 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 179' ' ' GLY . . . . . 0.584 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 118.44 159.91 11.33 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.9 p -128.21 144.65 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.499 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -154.41 150.22 27.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.571 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 8.3 tt -126.1 131.43 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.587 ' HB1' ' HA ' ' B' ' 323' ' ' PHE . . . -177.55 168.21 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.531 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 184' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 184' ' ' GLU . 10.8 pm0 -74.47 162.79 28.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.548 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.659 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.75 122.87 7.7 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -131.81 135.61 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.544 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.16 144.58 27.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' B' ' 190' ' ' THR . 10.6 t0 -66.67 149.19 50.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' B' ' 188' ' ' ASP . . . -69.42 16.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 190' ' ' THR . . . . . 0.54 ' H ' ' C ' ' B' ' 188' ' ' ASP . 49.3 m -81.0 109.5 15.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.438 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 1.5 mt -134.61 145.25 54.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.86 128.78 16.69 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.866 2.377 . . . . 0.0 112.053 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.651 ' O ' ' NZ ' ' B' ' 273' ' ' LYS . 2.6 mp -120.61 9.21 10.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 194' ' ' MET . . . . . 0.797 ' O ' HG13 ' B' ' 197' ' ' VAL . 39.9 ttp -72.53 -32.11 65.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.9 -6.63 3.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -93.76 15.93 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.797 HG13 ' O ' ' B' ' 194' ' ' MET . 19.4 m -75.91 119.8 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -125.54 158.22 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.507 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -117.66 129.08 55.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 200' ' ' ALA . . . . . 0.702 ' HB3' ' CH2' ' B' ' 270' ' ' TRP . . . -171.88 172.82 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 70.0 m -116.16 130.23 56.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.623 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 27.7 m -131.83 144.16 50.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 0.774 HD12 ' H ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -98.17 91.26 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.668 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 30.5 p-10 -157.02 46.31 0.25 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 54.4 Cg_exo -46.81 -54.36 5.02 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.83 2.353 . . . . 0.0 112.117 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -81.89 -49.96 9.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -49.23 -43.49 42.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.548 ' HG3' ' HB2' ' B' ' 268' ' ' ALA . 5.4 tp10 -71.64 -50.24 32.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -52.19 -53.45 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.476 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.8 -39.7 92.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.494 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.432 HH12 ' CD ' ' B' ' 269' ' ' GLU . 14.2 ttt-85 -55.64 -39.93 71.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.454 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.423 HD23 ' HB1' ' B' ' 268' ' ' ALA . 0.1 OUTLIER -64.7 -50.4 67.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 89.4 m -56.13 -49.49 73.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.46 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.77 -36.0 84.66 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.37 -40.44 77.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.485 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.8 mm? -57.22 -51.01 71.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.37 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 4.0 mm-40 -52.47 -36.07 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.357 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -79.24 -32.04 43.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.402 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.0 -49.34 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.399 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.697 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.44 -49.81 73.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.373 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 98.0 m-20 -64.65 -33.41 75.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.383 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 3.3 tm-20 -70.32 -34.93 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.464 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.66 -43.94 52.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -61.82 -40.63 95.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.397 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -33.69 70.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.735 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.2 OUTLIER -60.46 -57.19 13.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 68.1 p -59.5 -41.54 90.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.531 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -38.37 45.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -69.92 -41.26 74.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.96 -49.23 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.41 65.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.84 -18.16 65.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 233' ' ' GLY . . . . . 0.904 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -142.42 -91.83 0.17 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.904 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -10.1 -122.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.636 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 235' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.71 176.19 8.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -83.71 -27.17 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.647 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.67 -44.08 97.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.589 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 238' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.81 -54.72 30.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 239' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' B' ' 243' ' ' ASP . . . -54.52 -43.52 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.14 82.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.39 -62.46 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.531 ' O ' ' N ' ' B' ' 245' ' ' TYR . 33.3 m-85 -57.4 -61.04 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' B' ' 242' ' ' PHE . 66.7 t0 -35.42 -42.67 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.596 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.74 -43.29 89.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.536 ' O ' ' HB3' ' B' ' 248' ' ' LEU . 0.4 OUTLIER -71.65 -39.08 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.634 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 41.0 t -50.23 -43.82 53.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -70.17 -29.26 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.592 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.543 ' CD1' HH22 ' B' ' 253' ' ' ARG . 3.9 tp -59.79 -66.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.725 ' HB3' HD21 ' B' ' 301' ' ' LEU . 3.0 pp -52.9 -38.51 61.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.585 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 250' ' ' SER . . . . . 0.723 ' N ' HD12 ' B' ' 249' ' ' LEU . 51.9 p -75.6 -19.2 59.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' B' ' 253' ' ' ARG . 62.2 t0 -57.49 123.03 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.58 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 1.8 t -52.5 -6.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.565 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.87 ' O ' ' HG3' ' B' ' 256' ' ' ARG . 2.5 ttp-105 -75.15 -49.88 18.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.89 -45.25 78.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -58.72 -49.68 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 256' ' ' ARG . . . . . 0.87 ' HG3' ' O ' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -58.38 -40.22 81.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.556 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' B' ' 256' ' ' ARG . 2.4 mt-10 -59.17 -49.51 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.985 HD21 HG23 ' B' ' 272' ' ' VAL . 6.8 mp -59.75 -47.37 85.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -31.3 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.671 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.3 97.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 261' ' ' GLU . . . . . 0.464 ' HA ' ' NZ ' ' B' ' 264' ' ' LYS . 80.6 mm-40 -63.15 -37.39 87.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 45.1 t -68.09 -33.36 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.92 -19.06 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 264' ' ' LYS . . . . . 0.464 ' NZ ' ' HA ' ' B' ' 261' ' ' GLU . 15.4 mttp -96.58 -24.55 15.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.558 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.65 21.42 2.19 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 45.9 t -85.69 154.4 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.603 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.48 133.49 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.548 ' HB2' ' HG3' ' B' ' 208' ' ' GLU . . . -46.14 -54.15 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' B' ' 269' ' ' GLU . 2.0 mp0 -39.97 -55.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.454 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 270' ' ' TRP . . . . . 0.702 ' CH2' ' HB3' ' B' ' 200' ' ' ALA . 5.7 m0 -82.33 -41.17 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.509 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -53.52 -51.89 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.513 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.985 HG23 HD21 ' B' ' 258' ' ' LEU . 7.2 p -57.54 -39.77 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.651 ' NZ ' ' O ' ' B' ' 193' ' ' LEU . 4.8 ttmt -67.75 -42.68 81.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 274' ' ' THR . . . . . 0.544 HG23 ' O ' ' B' ' 270' ' ' TRP . 72.2 p -64.85 -47.96 76.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.515 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.613 HG11 ' CD1' ' B' ' 258' ' ' LEU . 56.0 t -55.63 -47.84 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.442 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.531 HD13 ' O ' ' B' ' 272' ' ' VAL . 1.2 mp -63.73 -38.42 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.577 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 80.0 tt0 -65.58 -42.78 91.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.391 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -62.35 -36.59 82.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.396 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 279' ' ' PHE . . . . . 0.504 ' CE2' ' NH1' ' B' ' 253' ' ' ARG . 1.5 m-85 -71.42 -35.22 70.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.446 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -51.19 -41.8 60.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.456 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.577 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 4.6 mp0 -69.29 -36.98 77.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -66.11 -40.72 90.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 53' ' ' LEU . 5.1 m-85 -65.86 -39.2 90.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 284' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -66.83 -44.85 80.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 285' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -38.38 -32.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.663 ' O ' ' HD2' ' B' ' 292' ' ' LYS . 39.0 tp -65.2 142.24 58.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.607 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 43.2 t -92.16 -39.0 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.712 ' O ' ' HB3' ' B' ' 292' ' ' LYS . 9.3 t70 -60.26 105.26 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -69.61 -23.2 63.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.95 -22.47 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' B' ' 294' ' ' ARG . 0.1 OUTLIER -138.33 -39.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.55 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.712 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -39.52 -46.44 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.545 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 293' ' ' GLU . . . . . 0.482 ' N ' ' HG2' ' B' ' 292' ' ' LYS . 8.8 tm-20 -46.72 -24.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.524 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 291' ' ' LEU . 68.8 mmt-85 -40.12 -29.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 295' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -46.79 -50.23 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.47 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -52.05 -42.35 54.42 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.518 ' OD2' ' NE2' ' B' ' 356' ' ' GLN . 63.0 m-20 -64.0 -40.33 96.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.46 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 298' ' ' LEU . . . . . 0.447 ' O ' HD12 ' B' ' 298' ' ' LEU . 12.5 tp -56.43 -50.14 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.398 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -49.96 -43.95 50.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.385 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.414 ' HB3' HG21 ' B' ' 333' ' ' THR . . . -63.41 -39.15 93.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.435 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.725 HD21 ' HB3' ' B' ' 249' ' ' LEU . 11.5 tp -59.73 -43.69 94.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.312 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.06 99.41 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.3 -40.19 81.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 0.0 110.396 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 5.8 mmm-85 -66.36 -40.24 89.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 36.0 mt -67.69 -36.89 81.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -44.19 91.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.452 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -72.53 -38.53 68.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.5 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 63.6 m-70 -70.54 -24.2 62.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.449 HD12 ' OE2' ' B' ' 269' ' ' GLU . 0.5 OUTLIER -64.31 -11.38 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.504 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.515 ' C ' ' H ' ' B' ' 312' ' ' ALA . 2.2 m-20 -134.56 104.16 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.532 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -59.9 0.75 0.13 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' B' ' 310' ' ' ASP . . . -91.83 -4.11 55.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 313' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -138.35 126.71 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 179.35 -127.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 68.6 158.81 1.46 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 316' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' B' ' 317' ' ' ASN . 53.4 Cg_exo -47.37 -17.35 0.55 Allowed 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 122.822 2.348 . . . . 0.0 112.104 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 317' ' ' ASN . . . . . 0.75 ' O ' ' HB2' ' B' ' 318' ' ' ALA . 5.7 t-20 85.24 -24.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 318' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' B' ' 317' ' ' ASN . . . 154.06 101.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.592 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.848 ' HE1' ' HE ' ' B' ' 342' ' ' ARG . 3.0 t90 -107.99 83.62 1.83 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 0.583 ' HG2' ' CE2' ' B' ' 323' ' ' PHE . 47.4 Cg_endo -72.59 -173.18 1.09 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.747 2.298 . . . . 0.0 112.095 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 321' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' B' ' 322' ' ' ARG . 4.3 mp0 -92.1 -43.39 9.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.656 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 321' ' ' GLU . 0.1 OUTLIER -161.41 138.16 8.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.587 ' HA ' ' HB1' ' B' ' 183' ' ' ALA . 7.7 p90 177.52 177.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 1.8 pt -124.94 151.49 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.514 HD23 ' H ' ' B' ' 326' ' ' VAL . 0.5 OUTLIER -85.39 135.5 33.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.59 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.699 HG13 ' O ' ' B' ' 326' ' ' VAL . 7.2 p -124.16 97.21 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.594 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.691 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -129.94 152.62 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 328' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 42.9 p-10 -60.08 -29.09 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 0.0 OUTLIER -146.02 133.89 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.579 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' B' ' 330' ' ' LEU . 12.9 tp -66.47 112.26 3.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 57.9 m -111.23 118.05 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.618 ' N ' ' HB2' ' B' ' 357' ' ' ALA . . . -53.68 -42.85 68.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.414 HG21 ' HB3' ' B' ' 300' ' ' ALA . 29.1 p -57.71 -41.32 81.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 86.7 m -58.99 -50.62 73.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.481 ' O ' HD23 ' B' ' 335' ' ' LEU . 1.8 tt -61.18 -38.78 87.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 336' ' ' ALA . . . . . 0.735 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -65.59 2.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' B' ' 335' ' ' LEU . 41.5 tt0 -104.57 -33.71 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.473 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 90.6 mt -103.45 150.21 37.8 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 339' ' ' PRO . . . . . 0.816 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 51.1 Cg_endo -72.81 130.58 15.9 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.813 2.342 . . . . 0.0 112.119 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 340' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' B' ' 343' ' ' LEU . 1.4 tm0? -65.59 -35.04 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.816 ' OD1' ' HB2' ' B' ' 339' ' ' PRO . 44.3 p-10 -48.13 -43.15 30.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.848 ' HE ' ' HE1' ' B' ' 319' ' ' TRP . 18.8 mmt180 -91.35 -8.15 48.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.642 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 344' ' ' VAL . 1.0 OUTLIER -109.7 120.13 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.908 HG13 ' H ' ' B' ' 345' ' ' GLY . 14.9 p -100.67 -66.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 345' ' ' GLY . . . . . 0.908 ' H ' HG13 ' B' ' 344' ' ' VAL . . . -128.72 -175.49 14.08 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 325' ' ' LEU . 0.2 OUTLIER -164.72 141.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.547 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 347' ' ' VAL . . . . . 0.677 HG22 HG23 ' B' ' 369' ' ' VAL . 19.7 t -113.31 124.63 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.691 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 11.2 m -111.01 161.52 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -100.1 1.79 42.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 352' ' ' ALA . 28.3 t0 -154.84 -93.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.633 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 17.58 50.16 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ALA . . . . . 0.73 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -89.76 169.2 11.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.631 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 87.34 -154.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -107.73 47.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 69.3 m -54.09 150.15 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.593 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 356' ' ' GLN . . . . . 0.518 ' NE2' ' OD2' ' B' ' 297' ' ' ASP . 0.0 OUTLIER -48.31 -36.69 14.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.583 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 357' ' ' ALA . . . . . 0.618 ' HB2' ' N ' ' B' ' 332' ' ' ALA . . . -83.81 -20.97 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.676 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -84.29 -29.9 26.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 16.5 tt -84.25 -31.92 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 360' ' ' MET . . . . . 0.549 ' CG ' ' N ' ' B' ' 361' ' ' VAL . 2.5 ptt? -74.4 -42.85 58.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.549 ' N ' ' CG ' ' B' ' 360' ' ' MET . 8.3 p -66.53 -42.83 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.533 ' N ' HG13 ' B' ' 361' ' ' VAL . 12.2 ttm-85 -59.46 -47.88 83.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -66.22 -24.84 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -29.4 66.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.534 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 89.55 28.7 18.56 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 366' ' ' ILE . . . . . 0.627 HG23 ' O ' ' B' ' 344' ' ' VAL . 1.2 mp -105.53 126.27 31.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.65 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.49 131.72 19.38 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.898 2.398 . . . . 0.0 112.11 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 5.7 m -149.76 141.14 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 369' ' ' VAL . . . . . 0.677 HG23 HG22 ' B' ' 347' ' ' VAL . 0.0 OUTLIER -137.83 151.55 25.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.465 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 370' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -136.55 168.97 18.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.626 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 94.84 -0.27 64.63 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -60.4 114.91 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.83 44.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 9.9 tt -125.69 148.65 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.632 ' H ' ' CD ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -88.5 147.67 40.31 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 376' ' ' PRO . . . . . 0.469 ' HA ' HD12 ' B' ' 379' ' ' LEU . 51.6 Cg_endo -72.82 -13.0 26.71 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.894 2.396 . . . . 0.0 112.132 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 89.5 p -55.44 -44.65 76.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.482 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 33.4 m -90.63 23.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' B' ' 380' ' ' HIS . 13.9 mt -116.45 -31.36 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.659 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER 16.85 -84.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.2 OUTLIER -137.46 21.22 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -62.14 167.97 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.599 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 24.2 m -87.58 128.05 35.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.471 HD12 ' O ' ' B' ' 394' ' ' LEU . 19.5 tp -136.16 118.97 16.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.505 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 385' ' ' ILE . . . . . 0.876 HD12 ' N ' ' B' ' 385' ' ' ILE . 2.7 mp -98.84 113.85 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.623 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 1.3 p -97.75 133.34 40.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.675 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.8 t0 -124.44 87.67 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 388' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -51.65 -44.11 54.02 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -52.54 23.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.333 . . . . 0.0 110.628 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 390' ' ' ARG . . . . . 0.546 ' NH1' ' OE2' ' B' ' 392' ' ' GLU . 6.9 mmm180 -103.43 7.35 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.468 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 40.39 47.6 3.68 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 392' ' ' GLU . . . . . 0.696 ' C ' HD23 ' B' ' 393' ' ' LEU . 6.2 mt-10 -114.65 153.45 30.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.593 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.696 HD23 ' C ' ' B' ' 392' ' ' GLU . 0.5 OUTLIER -127.28 109.65 12.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.54 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 22.5 mt -93.33 156.49 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.628 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.598 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 94.3 t -129.74 111.06 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' B' ' 395' ' ' VAL . 23.3 m-20 24.27 54.47 0.28 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.598 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 45.8 Cg_endo -71.87 160.95 46.43 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.78 2.32 . . . . 0.0 112.092 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -44.16 115.34 2.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -46.99 -29.0 7.87 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.769 2.312 . . . . 0.0 112.114 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 400' ' ' VAL . . . . . 0.615 HG13 ' N ' ' B' ' 401' ' ' LEU . 5.6 p -62.92 -48.08 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.603 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 401' ' ' LEU . . . . . 0.615 ' N ' HG13 ' B' ' 400' ' ' VAL . 92.8 mt -57.61 -45.53 85.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.555 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.16 -35.96 76.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -48.89 79.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.548 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -36.45 81.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.631 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -50.97 -49.05 60.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 406' ' ' GLN . . . . . 0.416 ' OE1' HD11 ' B' ' 409' ' ' ILE . 0.4 OUTLIER -59.01 -37.67 77.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.495 ' HA ' ' OG ' ' B' ' 410' ' ' SER . 56.5 ttp180 -76.83 -25.92 53.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.12 -47.74 76.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.614 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 409' ' ' ILE . . . . . 0.545 ' HA ' HD11 ' B' ' 418' ' ' LEU . 19.5 pt -69.57 -40.76 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.592 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 410' ' ' SER . . . . . 0.497 ' N ' HG13 ' B' ' 409' ' ' ILE . 59.7 p -63.72 -15.63 58.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.599 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -48.78 -70.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 412' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -177.85 -62.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.608 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 413' ' ' ILE . . . . . . . . . . . . . 11.2 mt -76.64 62.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.561 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 0.543 ' HB3' ' O ' ' B' ' 409' ' ' ILE . 11.9 pt-20 -80.1 23.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.607 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 415' ' ' LEU . . . . . 0.87 ' O ' ' O ' ' B' ' 416' ' ' SER . 79.1 mt -108.21 -93.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.87 ' O ' ' O ' ' B' ' 415' ' ' LEU . 82.0 p -24.52 -118.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.41 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 417' ' ' ARG . . . . . 0.545 ' O ' ' O ' ' B' ' 418' ' ' LEU . 0.1 OUTLIER -133.35 11.43 4.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.576 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 418' ' ' LEU . . . . . 0.545 ' O ' ' O ' ' B' ' 417' ' ' ARG . 23.0 mt 56.02 136.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -55.36 105.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.589 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.86 -174.66 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.56 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 421' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' B' ' 422' ' ' ASP . 3.2 t70 -63.71 -139.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.555 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' B' ' 421' ' ' ASP . 0.8 OUTLIER 56.77 122.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.58 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 423' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' B' ' 422' ' ' ASP . 18.5 m 32.97 38.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.648 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 424' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 422' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.585 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 3' ' ' VAL . 43.6 m -83.39 158.13 22.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.613 ' O ' HG12 ' A' ' 3' ' ' VAL . 1.0 OUTLIER -132.56 118.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.648 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -125.61 172.36 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.657 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 6' ' ' THR . 15.4 tm0? -161.21 133.46 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.536 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.586 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 63.6 p -79.68 129.19 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.599 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.7 p -130.15 125.55 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.8 125.56 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.595 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.8 mt -88.64 104.66 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -83.25 59.37 4.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.636 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 62.2 21.42 12.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -162.05 103.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 2.5 pp -65.91 -6.84 13.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.625 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.663 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 124.76 45.99 0.25 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' HIS . 6.6 tpt 71.0 70.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.557 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.749 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -39.53 148.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.525 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 86.3 33.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.775 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -167.75 -69.12 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.55 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.775 ' HD3' ' CB ' ' A' ' 18' ' ' ARG . 50.4 Cg_exo -49.24 -53.85 6.37 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.888 2.392 . . . . 0.0 112.109 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.508 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -62.7 -44.39 96.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.581 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -67.19 -42.28 84.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -62.05 -36.93 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.66 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.631 HD11 ' CG2' ' A' ' 79' ' ' VAL . 7.1 mt -50.32 -44.68 54.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.59 -37.52 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -74.59 -34.46 62.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.694 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.854 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 34.7 mt -68.44 -41.04 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.581 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.852 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 47.9 ttm -57.56 -28.8 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.578 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -86.33 -29.77 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.631 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.52 -24.19 44.01 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.854 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.7 p90 -120.39 136.79 54.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.759 0.314 . . . . 0.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.739 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 91.8 m-20 -78.96 109.96 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.548 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.794 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.8 147.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.75 127.77 43.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.816 ' O ' HD12 ' A' ' 35' ' ' LEU . 31.6 t -106.01 133.37 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.491 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 34' ' ' VAL . 6.3 mp -134.41 138.05 44.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.651 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -106.24 151.32 24.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.49 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.643 ' H ' HD12 ' A' ' 63' ' ' ILE . 52.8 mtt180 -148.41 133.35 18.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 63.0 m-80 -91.75 155.65 18.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.62 -28.99 23.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.586 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.75 -11.92 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.44 11.01 58.76 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 38' ' ' ASN . 44.4 p -83.92 117.49 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.735 0.303 . . . . 0.0 110.546 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' HG2' ' HE ' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -78.24 103.08 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.568 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.1 65.45 7.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.52 ' CD ' HD21 ' A' ' 47' ' ' ASN . 6.8 tt0 -41.12 120.68 1.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.76 -8.77 7.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.432 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.52 HD21 ' CD ' ' A' ' 45' ' ' GLU . 51.7 p30 -100.56 27.03 6.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.531 ' OG ' ' NE ' ' B' ' 253' ' ' ARG . 0.3 OUTLIER -145.72 123.75 12.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.601 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.446 HG11 HD12 ' B' ' 248' ' ' LEU . 17.1 m -63.62 -35.43 72.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 51' ' ' ALA . 12.4 tt -61.46 -36.9 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.96 -42.67 89.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.508 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 6.5 mp -58.3 -38.42 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' B' ' 291' ' ' LEU . 52.6 mt -65.2 -36.39 84.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.465 ' HA ' HD11 ' B' ' 286' ' ' LEU . 53.0 ttm -68.43 -36.55 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.1 mt -63.23 -35.18 79.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.487 ' OD2' HD22 ' B' ' 291' ' ' LEU . 74.1 m-20 -53.08 -34.66 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.6 p -76.79 -6.58 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.89 28.59 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.524 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -68.57 97.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.6 4.93 39.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.2 165.42 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -98.71 142.21 30.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.643 HD12 ' H ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -129.56 162.27 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -124.9 101.31 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 5' ' ' GLN . 4.0 m -80.83 130.16 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -122.03 140.15 52.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.68 130.7 26.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.647 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.463 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.5 t -121.39 141.14 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.44 -176.54 19.58 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.08 -37.05 3.73 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.788 2.325 . . . . 0.0 112.129 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 74' ' ' GLU . 13.6 mm-40 -97.81 3.01 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.42 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 71' ' ' GLN . 18.4 pt-20 -35.46 -42.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.529 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 41.0 tp10 -58.17 -49.48 76.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 71' ' ' GLN . 68.9 mm-40 -58.93 -50.45 74.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.07 77.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -44.21 90.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.38 99.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.51 98.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.631 ' CG2' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -66.49 -43.12 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.623 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.531 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -64.05 -41.81 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.58 -35.68 81.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.554 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 82' ' ' LEU . 1.3 mm? -73.43 -36.57 65.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.3 m-85 -71.12 -32.31 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 85' ' ' SER . 35.8 m-80 -81.85 -4.62 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.5 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.548 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.75 137.15 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.717 ' HE ' ' N ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -87.34 111.99 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -115.77 157.08 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.61 ' N ' ' CD2' ' B' ' 174' ' ' LEU . 2.6 mm? -77.51 117.4 65.3 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.557 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.27 111.94 3.32 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.906 2.404 . . . . 0.0 112.102 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -88.88 -32.1 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.543 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -143.85 103.78 4.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.662 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.11 139.14 15.7 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.923 2.415 . . . . 0.0 112.14 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 141.49 164.7 10.1 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 180' ' ' VAL . . . . . 0.41 HG12 ' N ' ' B' ' 181' ' ' ALA . 98.3 t -110.57 153.38 12.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.349 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 181' ' ' ALA . . . . . 0.41 ' N ' HG12 ' B' ' 180' ' ' VAL . . . -155.69 129.46 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.604 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 182' ' ' ILE . . . . . 0.498 HG23 ' O ' ' B' ' 182' ' ' ILE . 14.1 tt -123.49 121.92 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.525 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . -174.71 174.21 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.51 150.49 25.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.626 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.536 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -78.37 141.43 24.84 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -144.52 120.36 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 187' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' B' ' 189' ' ' ALA . 46.9 tt0 -118.25 142.2 47.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.515 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' B' ' 188' ' ' ASP . 54.2 t0 -62.68 74.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.647 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' B' ' 187' ' ' GLN . . . -107.41 65.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.464 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 75.6 p -91.37 178.17 6.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.66 131.76 94.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.508 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.85 73.0 3.09 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.0 -25.12 57.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 78.3 mtm -65.96 -37.63 86.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.618 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -79.39 -2.74 43.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -102.3 3.02 37.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.526 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.514 HG12 ' N ' ' B' ' 198' ' ' TYR . 96.0 t -86.45 158.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.611 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 198' ' ' TYR . . . . . 0.514 ' N ' HG12 ' B' ' 197' ' ' VAL . 46.2 p90 -150.59 167.3 27.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.556 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 9.0 pm0 -95.28 147.59 23.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -156.47 147.85 22.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.562 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 94.8 p -117.83 94.21 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.646 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 87.4 m -151.63 102.96 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.682 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 0.617 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 7.6 mp -43.46 116.51 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.688 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 83.7 m-20 -151.2 44.39 0.29 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.543 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.688 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 58.5 Cg_exo -46.72 -49.25 12.5 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.736 2.291 . . . . 0.0 112.102 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -52.87 -56.35 16.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -44.37 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.588 ' HB3' HG11 ' B' ' 262' ' ' VAL . 0.0 OUTLIER -61.46 -54.4 43.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -53.61 -48.28 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.439 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 210' ' ' GLU . . . . . 0.446 ' HA ' ' OG1' ' B' ' 213' ' ' THR . 4.9 mt-10 -64.66 -35.63 81.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.466 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -54.38 -47.12 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -50.25 49.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 213' ' ' THR . . . . . 0.446 ' OG1' ' HA ' ' B' ' 210' ' ' GLU . 68.1 p -56.14 -52.25 65.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.19 -35.97 92.31 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -74.9 -41.05 60.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' B' ' 220' ' ' ALA . 10.3 tp -58.01 -49.75 75.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.995 ' O ' ' HB3' ' B' ' 221' ' ' ASN . 40.8 mm-40 -55.58 -33.97 64.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 218' ' ' GLU . . . . . 0.59 ' O ' ' CB ' ' B' ' 222' ' ' GLU . 2.2 mt-10 -83.7 -25.3 30.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.449 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -92.87 -59.33 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.464 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.576 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.72 -50.5 70.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.545 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.995 ' HB3' ' O ' ' B' ' 217' ' ' GLU . 1.3 t30 -66.29 -34.1 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.59 ' CB ' ' O ' ' B' ' 218' ' ' GLU . 3.8 tm-20 -71.62 -35.06 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.474 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -77.45 -41.03 41.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.454 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -62.68 -40.59 97.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -72.6 -33.34 66.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.494 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -51.79 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.616 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 227' ' ' SER . . . . . 0.641 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 64.1 p -64.79 -37.46 87.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.428 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -52.63 -36.7 57.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 229' ' ' ARG . . . . . 0.428 ' HD3' HH21 ' B' ' 229' ' ' ARG . 33.1 ttp-105 -78.42 -46.07 20.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' B' ' 234' ' ' ALA . 11.8 m-85 -52.17 -49.47 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -45.64 -38.7 6.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 232' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' B' ' 229' ' ' ARG . . . -51.85 -20.9 2.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 233' ' ' GLY . . . . . 0.74 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -143.64 -63.6 0.02 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.74 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -34.31 172.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.521 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.712 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 0.6 OUTLIER -82.88 168.65 16.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 236' ' ' LYS . . . . . 0.712 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 0.0 OUTLIER -60.02 -27.76 67.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.83 -52.24 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.621 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.424 ' OG1' ' SD ' ' B' ' 360' ' ' MET . 1.2 m -54.63 -57.75 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -51.9 -41.19 61.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.556 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.36 83.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.486 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.11 -50.87 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.641 ' HB2' ' HB3' ' B' ' 227' ' ' SER . 0.0 OUTLIER -52.81 -60.43 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.493 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.618 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 35.3 t0 -41.81 -41.29 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.498 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 9.0 tp -80.44 -37.5 31.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.605 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -62.57 -53.2 58.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 15.8 p -53.96 -42.92 69.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 15.6 t60 -71.59 -28.17 63.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.541 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 8.9 tt -74.01 -43.82 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.591 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.644 HD21 HD13 ' B' ' 301' ' ' LEU . 0.3 OUTLIER -77.9 -40.21 40.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 250' ' ' SER . . . . . 0.412 ' HG ' ' HA ' ' B' ' 247' ' ' HIS . 77.1 p -70.0 -21.4 63.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.626 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.837 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 38.1 p-10 -51.02 127.65 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.503 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 9.5 t -61.27 4.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.569 ' H ' ' C ' ' B' ' 251' ' ' ASP . 85.9 mtt-85 -80.55 -40.01 26.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 254' ' ' LEU . . . . . 0.48 ' O ' HD13 ' B' ' 254' ' ' LEU . 0.1 OUTLIER -65.43 -45.85 82.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.639 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -43.4 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -60.61 -42.96 97.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.594 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -62.66 -50.11 72.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.703 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.477 ' CD1' HG12 ' B' ' 272' ' ' VAL . 2.2 tt -61.21 -58.41 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.691 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 259' ' ' PHE . . . . . 0.75 ' O ' HG22 ' B' ' 262' ' ' VAL . 89.4 t80 -52.17 -35.84 49.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.18 89.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.704 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.59 -45.93 77.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 262' ' ' VAL . . . . . 0.75 HG22 ' O ' ' B' ' 259' ' ' PHE . 1.3 m -66.02 -31.19 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.545 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -51.99 -19.76 2.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.55 -17.76 17.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.568 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 122.21 17.77 3.59 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 70.7 m -83.2 153.89 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 267' ' ' VAL . . . . . 0.545 HG13 ' H ' ' B' ' 270' ' ' TRP . 12.0 p -97.94 147.16 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.532 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.588 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -50.28 -46.6 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.412 ' H ' HG22 ' B' ' 267' ' ' VAL . 0.8 OUTLIER -41.74 -54.67 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.486 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 270' ' ' TRP . . . . . 0.545 ' H ' HG13 ' B' ' 267' ' ' VAL . 0.0 OUTLIER -81.23 -36.8 29.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.538 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.642 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -52.1 -53.0 47.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.581 HG22 ' O ' ' B' ' 268' ' ' ALA . 18.0 m -67.79 -31.9 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -73.65 -50.08 22.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 274' ' ' THR . . . . . 0.496 ' OG1' ' CE3' ' B' ' 270' ' ' TRP . 11.6 m -65.41 -55.84 15.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.544 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 271' ' ' ALA . 94.0 t -47.51 -56.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.514 HD13 ' O ' ' B' ' 272' ' ' VAL . 1.5 mp -57.36 -43.38 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -63.09 -39.77 95.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.653 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -36.18 78.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -71.79 -32.71 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 280' ' ' ALA . . . . . 0.417 ' HB3' ' OE2' ' B' ' 281' ' ' GLU . . . -66.77 -35.5 80.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.505 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.489 ' N ' ' OE2' ' B' ' 281' ' ' GLU . 0.1 OUTLIER -72.5 -41.52 65.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.462 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -61.64 -41.95 98.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.519 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.547 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 5.5 m-30 -71.01 -35.72 72.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.93 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.565 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -43.98 -32.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.644 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 1.112 HD12 ' OD1' ' B' ' 288' ' ' ASP . 1.7 mm? -62.48 161.64 11.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.541 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 98.2 p -109.48 -22.41 12.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 1.112 ' OD1' HD12 ' B' ' 286' ' ' LEU . 2.2 p-10 -59.01 94.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 289' ' ' ASN . . . . . 0.422 ' HA ' ' HG3' ' B' ' 292' ' ' LYS . 1.8 m-80 -65.64 -28.68 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.605 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 290' ' ' TYR . . . . . 0.621 ' C ' HD12 ' B' ' 291' ' ' LEU . 70.1 m-85 -58.5 -16.21 14.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.613 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.642 ' O ' ' N ' ' B' ' 294' ' ' ARG . 4.3 mp -144.45 -52.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.589 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.728 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -31.94 -39.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.425 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 293' ' ' GLU . . . . . 0.646 ' N ' ' HG3' ' B' ' 292' ' ' LYS . 7.2 tm-20 -55.1 -20.03 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.518 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.773 HH11 ' CG ' ' B' ' 297' ' ' ASP . 3.7 mmp_? -41.57 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.512 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 295' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -43.5 -47.24 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.502 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.44 -44.6 28.64 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.773 ' CG ' HH11 ' B' ' 294' ' ' ARG . 1.2 m-20 -63.06 -42.64 99.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 298' ' ' LEU . . . . . 0.424 HD13 HD23 ' B' ' 301' ' ' LEU . 3.1 mm? -53.5 -53.84 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 299' ' ' ARG . . . . . 0.403 HH21 ' HD2' ' B' ' 299' ' ' ARG . 7.3 mmm180 -55.22 -39.0 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.423 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.437 ' HB2' HG21 ' B' ' 333' ' ' THR . . . -66.37 -40.15 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.374 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.921 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.1 OUTLIER -54.39 -42.45 70.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.502 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 302' ' ' GLY . . . . . 0.581 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -62.87 -43.22 99.25 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.24 -42.44 98.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.386 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.652 ' O ' ' CD2' ' B' ' 308' ' ' HIS . 0.5 OUTLIER -69.26 -40.15 77.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.355 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 1.3 tp -68.52 -39.08 81.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.341 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.54 -43.17 97.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.466 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -64.79 -41.64 95.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.535 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.652 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 83.0 m-70 -73.52 -24.34 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.513 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.05 -21.28 64.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' B' ' 312' ' ' ALA . 58.0 m-20 -108.32 118.93 38.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -48.71 -9.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.686 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.582 ' O ' ' C ' ' B' ' 313' ' ' ASN . . . -62.06 -41.88 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.634 ' O ' ' HB3' ' B' ' 314' ' ' GLN . 6.8 m-80 22.08 -126.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 314' ' ' GLN . . . . . 0.634 ' HB3' ' O ' ' B' ' 313' ' ' ASN . 1.6 pt20 157.01 -49.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.528 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 315' ' ' GLY . . . . . 0.49 ' H ' ' HG2' ' B' ' 314' ' ' GLN . . . 162.98 -167.63 37.44 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.94 7.8 2.29 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.88 2.387 . . . . 0.0 112.032 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 51.85 86.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.586 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -151.68 114.71 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.794 ' CB ' ' CD ' ' B' ' 320' ' ' PRO . 0.1 OUTLIER -92.0 -164.67 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.488 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 0.794 ' CD ' ' CB ' ' B' ' 319' ' ' TRP . 52.3 Cg_exo -49.97 162.01 0.85 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.72 2.28 . . . . 0.0 112.066 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 321' ' ' GLU . . . . . 0.569 ' O ' ' OE1' ' B' ' 321' ' ' GLU . 2.6 pp20? -78.73 17.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.482 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.519 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.0 OUTLIER -132.97 103.68 6.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.578 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 5.2 m-85 -173.33 157.05 3.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.49 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.525 HG13 ' HB3' ' B' ' 183' ' ' ALA . 4.8 mt -117.37 151.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.553 HD13 ' N ' ' B' ' 326' ' ' VAL . 0.1 OUTLIER -97.64 126.56 43.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.565 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.553 ' N ' HD13 ' B' ' 325' ' ' LEU . 0.0 OUTLIER -129.34 96.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.515 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -130.36 158.06 40.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 328' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 17.8 p30 -73.87 -24.7 59.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.49 124.74 12.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.734 HD13 HG22 ' B' ' 348' ' ' VAL . 2.3 tp -75.98 122.01 23.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.637 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 331' ' ' SER . . . . . 0.536 ' O ' ' OG1' ' B' ' 334' ' ' THR . 70.2 m -135.9 133.81 38.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.62 -44.17 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.642 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' B' ' 334' ' ' THR . 2.7 t -48.42 -44.11 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 334' ' ' THR . . . . . 0.545 ' N ' ' CG2' ' B' ' 333' ' ' THR . 5.6 p -71.75 -51.27 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' B' ' 343' ' ' LEU . 0.1 OUTLIER -59.18 -34.05 71.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.502 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.26 8.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.566 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' B' ' 335' ' ' LEU . 0.7 OUTLIER -106.41 -32.43 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 3.0 mp -113.1 119.05 43.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.65 144.12 11.28 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.858 2.372 . . . . 0.0 112.087 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -60.29 -25.02 65.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -58.95 -45.25 90.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.493 HH11 ' CG ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -77.46 -7.46 56.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.624 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.576 ' CD1' HD21 ' B' ' 335' ' ' LEU . 5.1 tt -100.6 100.43 11.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 28.1 m -110.76 8.39 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.679 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -176.95 151.09 10.79 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.6 142.45 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 347' ' ' VAL . . . . . 0.475 HG13 HG12 ' B' ' 326' ' ' VAL . 0.5 OUTLIER -149.27 110.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.595 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.734 HG22 HD13 ' B' ' 330' ' ' LEU . 0.2 OUTLIER -110.0 154.46 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.577 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 349' ' ' ARG . . . . . 0.46 HH21 ' HD3' ' B' ' 349' ' ' ARG . 36.9 mtp-105 -89.86 -32.53 16.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.638 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' B' ' 351' ' ' GLY . 10.7 t70 -132.77 -120.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.629 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 25.39 75.78 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 352' ' ' ALA . . . . . 0.778 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -116.54 178.92 4.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.803 0.335 . . . . 0.0 110.451 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 94.08 -141.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.555 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 354' ' ' ASN . . . . . 0.459 ' HB3' HD11 ' B' ' 359' ' ' ILE . 11.0 m120 -95.24 62.05 2.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.74 144.61 41.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.39 -55.58 8.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.82 -32.02 67.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.444 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.84 92.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.487 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' B' ' 354' ' ' ASN . 79.7 mt -76.03 -29.53 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.471 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 360' ' ' MET . . . . . 0.424 ' SD ' ' OG1' ' B' ' 238' ' ' THR . 5.8 ttt -65.78 -55.58 16.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.501 HG23 ' N ' ' B' ' 362' ' ' ARG . 35.8 m -59.08 -42.58 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.501 ' N ' HG23 ' B' ' 361' ' ' VAL . 5.6 ttm-85 -58.82 -55.39 35.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.02 -30.12 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.519 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 364' ' ' LEU . . . . . 0.4 HD23 ' O ' ' B' ' 360' ' ' MET . 1.2 mm? -66.82 -31.54 72.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.575 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.52 27.74 19.02 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.61 130.78 22.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.939 0.4 . . . . 0.0 110.639 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.24 124.35 8.96 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.781 2.321 . . . . 0.0 112.167 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 53.8 m -141.75 142.37 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.643 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 369' ' ' VAL . . . . . 0.483 ' HB ' HG21 ' B' ' 386' ' ' VAL . 0.5 OUTLIER -136.01 146.42 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.608 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.465 ' O ' ' N ' ' B' ' 174' ' ' LEU . 1.7 mtp -134.02 163.16 30.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 93.03 5.56 63.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -58.52 110.57 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.473 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.28 31.74 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.6 tp -119.16 136.46 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.645 ' O ' HG22 ' B' ' 378' ' ' VAL . 3.7 mm100 -75.4 143.62 76.53 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -72.45 -23.05 20.72 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.805 2.337 . . . . 0.0 112.144 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 45.1 t -52.55 -40.27 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 378' ' ' VAL . . . . . 0.645 HG22 ' O ' ' B' ' 375' ' ' GLN . 28.5 m -77.76 -31.08 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' B' ' 381' ' ' ARG . 72.7 mt -69.75 -37.28 76.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.536 ' O ' ' O ' ' B' ' 185' ' ' GLY . 3.1 t-80 31.84 -84.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.508 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.695 ' N ' ' O ' ' B' ' 379' ' ' LEU . 1.2 ptp85 -143.11 28.16 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.43 170.71 15.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.611 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 383' ' ' THR . . . . . 0.664 HG22 ' CD1' ' B' ' 385' ' ' ILE . 77.5 m -75.6 124.41 27.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.63 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.614 HD11 HD11 ' B' ' 393' ' ' LEU . 7.5 tp -124.94 112.39 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.481 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 385' ' ' ILE . . . . . 0.715 HG22 ' O ' ' B' ' 385' ' ' ILE . 1.8 mp -111.57 90.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.622 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 386' ' ' VAL . . . . . 0.483 HG21 ' HB ' ' B' ' 369' ' ' VAL . 7.4 p -82.79 156.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.4 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.715 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.3 t0 -136.04 90.0 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.82 -46.63 31.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -50.95 -40.1 56.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.781 0.324 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 390' ' ' ARG . . . . . 0.476 ' O ' ' HG3' ' B' ' 392' ' ' GLU . 0.5 OUTLIER -114.39 11.57 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.526 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 34.35 46.68 0.54 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 392' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' B' ' 390' ' ' ARG . 46.7 mt-10 -112.46 151.45 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.574 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.614 HD11 HD11 ' B' ' 384' ' ' LEU . 4.3 tt -126.32 117.9 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.565 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 79.7 mt -105.76 153.28 22.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.581 ' O ' ' C ' ' B' ' 396' ' ' ASP . 0.0 OUTLIER -126.36 107.44 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.581 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.0 OUTLIER 24.65 55.45 0.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.565 ' HG3' ' HB3' ' B' ' 394' ' ' LEU . 43.6 Cg_endo -71.48 166.42 29.42 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.762 2.308 . . . . 0.0 112.068 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -48.47 158.26 0.63 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -70.88 -16.54 32.83 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.927 2.418 . . . . 0.0 111.983 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 400' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 401' ' ' LEU . 33.2 m -77.91 -37.32 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 401' ' ' LEU . . . . . 0.428 ' N ' HG23 ' B' ' 400' ' ' VAL . 1.1 tp -59.06 -50.51 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.58 -34.74 78.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -61.15 -56.6 18.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 404' ' ' GLU . . . . . 0.477 ' OE2' ' NH1' ' B' ' 407' ' ' ARG . 19.3 mm-40 -63.18 -31.85 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.489 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -50.65 -49.58 56.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -61.32 -39.19 89.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.477 ' NH1' ' OE2' ' B' ' 404' ' ' GLU . 20.1 mtm180 -75.39 -29.58 59.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.562 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' B' ' 404' ' ' GLU . 16.8 tp -61.43 -47.95 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 7.2 mm -63.31 -39.66 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 410' ' ' SER . . . . . 0.507 ' C ' ' H ' ' B' ' 412' ' ' GLU . 89.9 p -74.94 -17.41 60.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 411' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' B' ' 412' ' ' GLU . 15.3 tt0 -73.36 34.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.551 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 1.098 ' O ' ' N ' ' B' ' 414' ' ' GLU . 23.2 tt0 86.33 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.628 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 1.094 ' O ' HG23 ' B' ' 413' ' ' ILE . 0.2 OUTLIER -22.98 62.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.541 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 1.098 ' N ' ' O ' ' B' ' 412' ' ' GLU . 69.3 tt0 -134.44 105.5 6.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 415' ' ' LEU . . . . . 0.985 ' C ' HD22 ' B' ' 415' ' ' LEU . 0.0 OUTLIER -42.59 -17.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.895 ' N ' HD22 ' B' ' 415' ' ' LEU . 48.4 m -76.14 -43.48 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 417' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' B' ' 414' ' ' GLU . 0.0 OUTLIER -94.7 -42.51 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 25.2 tp -171.18 117.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 419' ' ' ALA . . . . . 0.527 ' HB2' ' HA ' ' B' ' 415' ' ' LEU . . . -92.85 119.61 32.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.72 53.53 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.6 164.48 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.622 ' N ' ' OD1' ' B' ' 422' ' ' ASP . 4.0 p-10 -175.56 -82.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 423' ' ' VAL . . . . . 0.513 ' H ' ' CG ' ' B' ' 422' ' ' ASP . 8.9 p -93.31 128.45 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.597 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 58.0 t30 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.9 -1.047 . . . . 0.0 110.516 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.4 p -83.3 158.65 22.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.6 t -132.29 119.87 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -127.28 172.31 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.633 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -162.41 133.49 5.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.5 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' OE1' ' A' ' 62' ' ' GLN . 86.1 m -78.62 129.58 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.712 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.508 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 16.4 m -130.52 123.59 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.424 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 24.1 pt-20 -80.46 128.02 33.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.644 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 mm -91.51 105.72 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.479 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 1.066 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 47.0 p -83.59 56.84 3.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.636 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 1.066 ' OD1' ' C ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 64.66 20.62 12.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -161.38 103.35 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -2.39 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.586 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.678 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 115.11 31.59 2.02 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.678 ' CB ' ' O ' ' A' ' 14' ' ' GLY . 7.9 tpt 94.88 49.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.83 0.348 . . . . 0.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.727 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 21.3 p80 -31.01 91.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 158.49 -31.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.918 ' H ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -109.2 -42.03 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.537 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.918 ' HD2' ' H ' ' A' ' 18' ' ' ARG . 34.1 Cg_endo -67.58 -50.11 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.767 2.311 . . . . 0.0 112.131 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.591 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -63.87 -39.89 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.519 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.647 ' SD ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -74.56 -42.06 59.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.687 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 17.2 mtpp -59.71 -38.53 81.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.429 HD21 HG11 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -48.82 -46.07 41.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.69 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -56.37 -38.51 71.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -74.19 -33.99 63.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.915 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 68.5 mt -69.99 -38.6 76.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.712 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.857 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 24.0 ttp -60.05 -27.23 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.573 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -87.68 -30.05 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.718 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.79 -27.78 37.15 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.915 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.9 p90 -117.23 138.84 51.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.75 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 16.5 m-20 -80.35 111.7 16.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.454 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 155.64 148.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.73 ' OE1' HD13 ' A' ' 35' ' ' LEU . 5.3 tm-20 -98.32 127.45 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.692 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.539 ' O ' HD12 ' A' ' 35' ' ' LEU . 22.1 t -105.45 134.62 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.487 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.73 HD13 ' OE1' ' A' ' 33' ' ' GLU . 1.1 mp -135.78 136.17 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.878 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.5 mm? -105.34 150.55 25.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.42 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.709 ' O ' HG23 ' A' ' 63' ' ' ILE . 2.9 mtt180 -147.29 134.07 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.97 154.61 18.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 42.9 p-10 -51.78 -28.49 15.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.608 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 19.5 mt-10 -67.35 -10.87 55.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.592 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.37 11.3 59.8 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.22 117.35 23.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.702 0.287 . . . . 0.0 110.568 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -78.28 102.49 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.642 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -88.58 65.75 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -41.21 120.94 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.737 ' HB2' HD21 ' A' ' 36' ' ' LEU . . . -62.67 -10.32 12.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.471 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 54.7 p30 -99.58 27.56 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.6 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -145.52 123.1 11.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.755 HG21 HD23 ' B' ' 248' ' ' LEU . 1.6 m -63.0 -36.74 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.419 HG22 ' CE1' ' B' ' 283' ' ' PHE . 11.6 pt -60.82 -37.08 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.62 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.642 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.07 -43.19 93.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.535 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.591 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 6.3 mp -57.96 -39.02 77.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.62 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.753 ' HG ' HD12 ' B' ' 291' ' ' LEU . 3.8 mp -64.64 -36.45 84.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.1 ttm -68.43 -36.51 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.62 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 67.0 mt -63.37 -34.89 78.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.438 ' OD2' ' HG ' ' B' ' 291' ' ' LEU . 8.1 m-20 -53.6 -34.32 58.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.647 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.515 ' O ' ' CZ ' ' A' ' 61' ' ' ARG . 59.6 p -76.84 -6.96 54.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.58 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.69 29.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -69.43 96.74 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.44 5.04 37.33 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.515 ' CZ ' ' O ' ' A' ' 57' ' ' SER . 38.9 mtt85 -105.97 165.14 11.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.542 ' OE1' HG23 ' A' ' 6' ' ' THR . 0.5 OUTLIER -96.61 144.86 26.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.709 HG23 ' O ' ' A' ' 37' ' ' ARG . 2.4 mt -131.56 160.49 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.588 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.563 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 8.9 mt-10 -123.85 101.6 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.507 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.785 HG22 HD12 ' A' ' 36' ' ' LEU . 48.1 t -81.35 128.52 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' OE2' ' C ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -120.3 139.47 52.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.06 131.75 28.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.576 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -122.66 143.95 49.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.66 -175.05 19.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 55.4 Cg_endo -74.13 -37.27 2.77 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.849 2.366 . . . . 0.0 112.058 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.868 ' CD ' ' HB2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -95.83 -0.38 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.723 ' CD ' ' H ' ' A' ' 73' ' ' GLU . 6.0 pm0 -32.16 -42.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.65 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.723 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 29.9 tt0 -58.06 -53.58 56.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.841 ' HB2' ' HG2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -56.58 -50.67 71.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.625 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.82 ' HB2' HE22 ' A' ' 71' ' ' GLN . . . -55.61 -48.73 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.71 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.091 ' O ' HG23 ' A' ' 80' ' ' ILE . 1.8 tt -66.65 -43.24 85.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.61 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.92 ' O ' HG13 ' A' ' 80' ' ' ILE . . . -62.05 -42.67 99.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.752 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.99 97.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.705 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 75' ' ' ALA . 59.5 t -67.43 -42.4 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.091 HG23 ' O ' ' A' ' 76' ' ' LEU . 1.3 pp -65.62 -39.05 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.671 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.532 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -66.45 -35.83 81.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.677 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -73.39 -37.65 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.581 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.651 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -73.73 -23.4 59.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.641 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -88.62 -6.7 57.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.566 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.1 p . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.627 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 97.5 mt -121.33 137.74 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -88.63 111.65 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -112.54 155.45 24.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' B' ' 370' ' ' MET . 38.6 mt -74.49 115.44 43.57 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 175' ' ' PRO . . . . . 0.568 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 43.4 Cg_endo -71.4 111.32 3.07 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.785 2.323 . . . . 0.0 112.134 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -98.08 -41.3 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -129.2 100.96 19.71 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.548 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -47.4 143.45 11.35 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.829 2.353 . . . . 0.0 112.087 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 179' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 141.79 157.82 7.31 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.62 140.73 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.37 . . . . 0.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 181' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' B' ' 344' ' ' VAL . . . -152.5 147.19 25.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 182' ' ' ILE . . . . . 1.047 ' H ' HD13 ' B' ' 182' ' ' ILE . 0.2 OUTLIER -128.77 139.06 52.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 174.38 176.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.52 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 184' ' ' GLU . . . . . 0.431 ' OE1' ' CG ' ' B' ' 381' ' ' ARG . 2.1 mt-10 -77.32 159.36 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.423 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.695 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -92.62 142.52 16.04 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -157.57 121.5 4.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.613 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -108.01 132.02 53.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.582 ' OD1' HG23 ' B' ' 190' ' ' THR . 68.5 t0 -84.97 74.56 10.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.604 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.612 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -95.73 16.93 16.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.505 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 190' ' ' THR . . . . . 0.612 ' C ' ' O ' ' B' ' 189' ' ' ALA . 16.7 p -19.49 117.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.482 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 191' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' B' ' 193' ' ' LEU . 3.0 mt -39.33 105.12 0.34 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.728 ' O ' ' N ' ' B' ' 194' ' ' MET . 52.5 Cg_exo -48.01 83.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.818 2.345 . . . . 0.0 112.065 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' B' ' 191' ' ' LEU . 0.3 OUTLIER -40.46 -11.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 194' ' ' MET . . . . . 0.728 ' N ' ' O ' ' B' ' 192' ' ' PRO . 5.6 tmm? -58.86 -39.75 82.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -95.12 4.16 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -104.12 -32.31 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.595 ' O ' ' CD1' ' B' ' 198' ' ' TYR . 10.0 p -57.75 150.77 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.586 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 198' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' B' ' 197' ' ' VAL . 3.9 m-85 -172.75 79.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -94.3 175.05 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.465 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -83.9 -168.58 2.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.59 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 68.8 m -132.9 99.89 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 202' ' ' THR . . . . . 0.585 HG23 ' OD1' ' B' ' 204' ' ' ASP . 13.2 t -156.44 140.7 16.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.555 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.46 130.3 23.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.703 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.9 OUTLIER -150.19 49.08 0.59 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.625 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 56.9 Cg_exo -46.92 -33.47 14.49 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.824 2.349 . . . . 0.0 112.093 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -79.19 -61.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 207' ' ' LEU . . . . . 0.505 HD12 ' OD2' ' B' ' 204' ' ' ASP . 47.6 mt -63.94 -42.13 97.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.703 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 1.5 tp10 -63.29 -61.17 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 209' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 33.7 ttp180 -54.23 -46.05 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -66.17 -36.48 83.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.524 ' NH1' ' OE1' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -55.47 -45.1 76.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 3.8 tp -66.35 -51.85 52.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 39.9 p -52.08 -47.85 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.549 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.77 85.31 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 215' ' ' ALA . . . . . 0.435 ' HB2' HD22 ' B' ' 309' ' ' LEU . . . -74.25 -42.95 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.712 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.5 OUTLIER -58.2 -45.34 87.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.691 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.42 -21.65 64.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.626 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 218' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' B' ' 222' ' ' GLU . 1.0 OUTLIER -94.82 -31.89 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.58 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.34 -46.93 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -59.31 -51.37 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 221' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -70.07 -28.5 65.48 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.613 ' OE2' ' CD2' ' B' ' 226' ' ' TYR . 1.5 tm-20 -70.33 -43.33 70.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.48 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 223' ' ' PHE . . . . . 0.627 ' CZ ' ' NH1' ' B' ' 304' ' ' ARG . 0.6 OUTLIER -70.73 -35.93 72.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.406 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 224' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' B' ' 228' ' ' LYS . 67.8 mtp180 -63.75 -48.95 74.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.572 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -73.33 -39.38 65.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.466 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.613 ' CD2' ' OE2' ' B' ' 222' ' ' GLU . 4.6 m-30 -52.27 -59.46 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 227' ' ' SER . . . . . 0.745 ' OG ' ' HB2' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -67.15 -49.6 64.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 228' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' B' ' 224' ' ' ARG . 25.5 tptt -37.79 -54.07 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 229' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' B' ' 232' ' ' ALA . 95.6 mtm-85 -63.04 -46.21 88.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.611 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.647 ' O ' ' N ' ' B' ' 234' ' ' ALA . 4.3 m-85 -52.35 -51.91 56.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 231' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -54.45 -41.41 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.453 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 232' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 229' ' ' ARG . . . -53.62 -17.08 1.88 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -129.04 -23.19 1.17 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.647 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -95.19 -157.32 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.659 ' HG3' ' H ' ' B' ' 237' ' ' GLU . 4.5 pt20 -99.13 177.34 5.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.515 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -61.74 -39.08 90.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.659 ' H ' ' HG3' ' B' ' 235' ' ' GLN . 55.8 tt0 -42.16 -46.49 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.526 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 238' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -61.99 2.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 239' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -53.95 -40.39 66.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.486 ' HB2' HH11 ' A' ' 18' ' ' ARG . . . -59.49 -37.81 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.637 HD13 ' O ' ' B' ' 237' ' ' GLU . 1.2 mp -60.28 -56.47 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.65 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.745 ' HB2' ' OG ' ' B' ' 227' ' ' SER . 0.0 OUTLIER -53.61 -55.81 22.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.458 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.735 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 65.3 t0 -38.55 -43.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 0.561 ' O ' HD12 ' B' ' 244' ' ' LEU . 12.8 tp -74.81 -38.75 62.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.589 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' B' ' 242' ' ' PHE . 10.7 m-30 -62.5 -53.1 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.527 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 246' ' ' SER . . . . . 0.558 ' O ' ' OG ' ' B' ' 250' ' ' SER . 31.1 t -49.61 -46.46 49.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' B' ' 251' ' ' ASP . 1.6 t60 -72.37 -27.56 62.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.581 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.928 ' C ' HD13 ' B' ' 248' ' ' LEU . 2.0 tm? -69.88 -50.72 39.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.643 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.643 ' N ' HD13 ' B' ' 248' ' ' LEU . 3.1 tp -78.93 -42.94 25.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.505 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 250' ' ' SER . . . . . 0.558 ' OG ' ' O ' ' B' ' 246' ' ' SER . 51.8 p -70.37 -13.43 62.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.614 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.639 ' HB2' ' O ' ' B' ' 247' ' ' HIS . 66.3 t0 -47.88 116.63 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 80.3 p -54.89 -15.77 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.534 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 253' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -49.33 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.645 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.28 -46.69 85.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.68 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.417 HH21 ' HD3' ' B' ' 255' ' ' ARG . 11.0 ttp180 -53.14 -55.59 22.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.696 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -38.32 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.606 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.93 -43.29 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.875 HD21 HG21 ' B' ' 275' ' ' VAL . 3.3 mm? -61.16 -51.45 68.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -60.93 -34.58 74.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.758 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.18 93.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.26 -35.47 81.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.723 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.0 -34.14 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -18.85 28.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.669 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -92.56 -23.06 19.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.576 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.42 13.96 3.73 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 47.5 t -87.86 154.08 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 267' ' ' VAL . . . . . 0.51 HG12 ' OE2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -100.13 154.02 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.549 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.671 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -59.17 -46.57 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.593 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.524 ' OE1' ' NH1' ' B' ' 211' ' ' ARG . 0.6 OUTLIER -43.15 -54.28 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.515 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -84.92 -34.66 22.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.48 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.782 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -52.55 -51.33 60.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.515 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.671 HG22 ' O ' ' B' ' 268' ' ' ALA . 34.4 m -60.91 -33.31 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -74.28 -49.32 23.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.532 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 20.9 p -59.14 -54.41 47.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.875 HG21 HD21 ' B' ' 258' ' ' LEU . 33.8 m -56.89 -51.78 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.666 ' N ' HG23 ' B' ' 275' ' ' VAL . 10.3 mm -59.27 -44.33 91.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.44 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 88.1 mt-10 -63.77 -42.69 97.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -38.79 91.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -74.2 -35.51 63.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.5 68.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 3.0 mp0 -68.89 -37.69 79.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -64.71 -40.65 95.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.565 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' B' ' 298' ' ' LEU . 7.9 m-85 -64.06 -44.23 93.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.511 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.25 77.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.614 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -43.89 -32.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.988 HD12 ' OD2' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -63.09 155.16 28.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.479 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 287' ' ' SER . . . . . 0.415 ' O ' ' N ' ' B' ' 289' ' ' ASN . 37.2 m -89.87 -36.08 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.713 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.988 ' OD2' HD12 ' B' ' 286' ' ' LEU . 0.6 OUTLIER -50.88 93.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 289' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 287' ' ' SER . 10.4 p-10 -60.59 -39.31 87.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.27 -22.24 51.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.753 HD12 ' HG ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -117.26 -55.97 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.658 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -35.09 -36.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.411 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 293' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' B' ' 292' ' ' LYS . 10.9 tm-20 -51.92 -33.46 37.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' B' ' 297' ' ' ASP . 0.9 OUTLIER -38.27 -35.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 295' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' B' ' 294' ' ' ARG . . . -35.83 -51.32 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.412 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -55.21 -40.1 73.84 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' B' ' 294' ' ' ARG . 96.5 m-20 -63.39 -47.75 80.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.831 0.348 . . . . 0.0 110.448 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 298' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -54.87 -51.06 67.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.355 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -59.96 -41.26 91.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.376 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.792 ' CB ' HG21 ' B' ' 333' ' ' THR . . . -62.53 -39.74 94.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.356 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.87 -42.43 99.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.289 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -54.34 -48.73 63.04 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 303' ' ' GLN . . . . . 0.575 ' HG2' ' N ' ' B' ' 304' ' ' ARG . 0.5 OUTLIER -55.58 -42.09 74.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.788 0.327 . . . . 0.0 110.358 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.627 ' NH1' ' CZ ' ' B' ' 223' ' ' PHE . 6.4 mmm-85 -65.47 -45.09 85.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.382 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -36.14 82.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.513 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 17.7 tp -67.31 -35.91 80.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 307' ' ' PHE . . . . . 0.871 ' CG ' ' NE2' ' B' ' 314' ' ' GLN . 3.1 m-85 -64.34 -43.23 95.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.415 ' C ' ' N ' ' B' ' 310' ' ' ASP . 32.5 m80 -71.93 -29.12 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' B' ' 309' ' ' LEU . 0.2 OUTLIER -47.11 -20.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.617 ' O ' ' N ' ' B' ' 312' ' ' ALA . 0.5 OUTLIER -108.55 115.38 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -45.67 -8.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' B' ' 310' ' ' ASP . . . -82.16 -18.07 44.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.539 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' B' ' 314' ' ' GLN . 55.1 t30 62.21 -67.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 314' ' ' GLN . . . . . 0.871 ' NE2' ' CG ' ' B' ' 307' ' ' PHE . 0.3 OUTLIER 82.98 162.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.593 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 136.52 70.66 0.06 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.55 -16.25 21.53 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.77 2.313 . . . . 0.0 112.155 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -56.86 113.2 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 318' ' ' ALA . . . . . 0.437 ' C ' ' HD3' ' B' ' 320' ' ' PRO . . . -68.25 174.63 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.558 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -123.9 64.02 31.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 0.437 ' HD3' ' C ' ' B' ' 318' ' ' ALA . 62.2 Cg_exo -46.31 157.77 0.4 Allowed 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.864 2.376 . . . . 0.0 112.066 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 12.9 pm0 -79.21 -15.83 57.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.594 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.404 HH21 ' HD3' ' B' ' 322' ' ' ARG . 3.5 mtt180 -156.04 115.47 3.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.617 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.671 ' CE2' ' NE ' ' B' ' 342' ' ' ARG . 1.8 p90 -154.98 166.24 34.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.61 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.406 HG13 ' HB3' ' B' ' 183' ' ' ALA . 20.8 mt -119.64 138.32 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.577 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.506 HD23 ' N ' ' B' ' 326' ' ' VAL . 0.9 OUTLIER -83.44 122.1 28.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' B' ' 376' ' ' PRO . 42.1 t -123.14 90.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.62 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.505 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -125.18 147.63 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 328' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 18.5 p-10 -65.36 -30.07 70.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -139.89 125.8 19.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' B' ' 330' ' ' LEU . 18.8 tp -73.5 121.78 21.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.545 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 74.0 m -120.97 119.56 32.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.659 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.41 ' H ' ' HB2' ' B' ' 357' ' ' ALA . . . -58.56 -46.59 86.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.792 HG21 ' CB ' ' B' ' 300' ' ' ALA . 3.8 t -56.84 -36.92 70.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.612 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 59.8 m -68.26 -45.61 72.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.669 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.3 OUTLIER -51.86 -36.48 48.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.402 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -63.05 18.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.669 ' H ' ' C ' ' B' ' 335' ' ' LEU . 67.5 mt-10 -110.77 -48.09 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 20.1 mt -100.25 120.59 56.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 339' ' ' PRO . . . . . 0.521 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 52.3 Cg_exo -47.48 138.83 18.19 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.908 2.405 . . . . 0.0 112.203 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -10.38 50.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.548 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.734 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 12.1 p30 -66.61 -40.04 88.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.435 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.734 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 11.4 ptm180 -86.67 -16.11 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.574 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 37.8 tp -73.68 104.38 4.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 323' ' ' PHE . 33.7 m -120.22 27.99 3.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.505 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 151.87 154.95 6.8 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.409 ' CG2' ' N ' ' B' ' 347' ' ' VAL . 1.5 p -155.33 153.13 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.765 0.316 . . . . 0.0 110.54 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 347' ' ' VAL . . . . . 0.409 ' N ' ' CG2' ' B' ' 346' ' ' VAL . 12.9 m -148.32 140.27 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.614 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 35.0 m -132.07 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 349' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' B' ' 372' ' ' ALA . 6.5 ptm180 -117.99 1.56 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.892 ' O ' ' N ' ' B' ' 352' ' ' ALA . 1.3 t70 -143.38 -48.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -48.56 60.8 0.0 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 352' ' ' ALA . . . . . 0.892 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -42.08 157.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.546 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.49 ' HB1' HH12 ' B' ' 362' ' ' ARG . . . -70.58 31.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.452 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 354' ' ' ASN . . . . . 0.559 ' H ' ' C ' ' B' ' 352' ' ' ALA . 16.8 m120 -111.03 -13.42 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 96.5 p -80.1 152.32 29.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.504 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -61.21 -36.16 79.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 357' ' ' ALA . . . . . 0.41 ' HB2' ' H ' ' B' ' 332' ' ' ALA . . . -61.44 -43.19 99.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 358' ' ' ALA . . . . . 0.447 ' HA ' HD23 ' B' ' 330' ' ' LEU . . . -60.92 -39.87 91.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.1 mt -67.54 -36.94 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -62.83 -50.6 70.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.457 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.436 HG12 ' N ' ' B' ' 362' ' ' ARG . 0.9 OUTLIER -65.07 -44.0 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.49 HH12 ' HB1' ' B' ' 353' ' ' ALA . 6.9 ttm-85 -58.09 -45.53 87.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.402 ' HB3' ' OE1' ' B' ' 235' ' ' GLN . . . -69.61 -23.79 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 364' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' B' ' 364' ' ' LEU . 32.8 tp -69.75 -29.41 66.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.478 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 95.09 28.8 9.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 366' ' ' ILE . . . . . 0.414 HG13 HD23 ' B' ' 364' ' ' LEU . 41.5 mm -106.7 127.37 28.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.892 0.377 . . . . 0.0 110.644 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.26 125.29 10.26 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.934 2.423 . . . . 0.0 112.166 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 368' ' ' THR . . . . . 0.406 HG23 HG13 ' B' ' 346' ' ' VAL . 8.1 m -141.44 134.41 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.62 152.57 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.629 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 1.7 tmm? -135.0 153.25 52.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 96.31 -7.26 66.38 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 372' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' B' ' 349' ' ' ARG . . . -49.28 109.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.303 . . . . 0.0 110.57 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 60.1 p30 -104.37 25.85 9.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.535 HG23 ' O ' ' B' ' 374' ' ' ILE . 10.5 tp -101.39 124.8 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.714 ' H ' ' CD ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -69.29 124.64 90.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 376' ' ' PRO . . . . . 0.558 ' HB3' HG11 ' B' ' 326' ' ' VAL . 51.4 Cg_endo -73.16 -7.99 21.38 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.842 2.361 . . . . 0.0 112.09 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 40.3 t -64.28 -35.92 82.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.511 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 58.2 t -82.07 -41.16 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.453 ' CA ' ' HB2' ' B' ' 382' ' ' ARG . 10.2 mp -78.85 -74.29 0.29 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.609 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.695 ' O ' ' O ' ' B' ' 185' ' ' GLY . 1.8 m-70 59.77 -104.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.599 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.431 ' CG ' ' OE1' ' B' ' 184' ' ' GLU . 32.4 ttt180 -78.35 -0.37 28.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.49 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 382' ' ' ARG . . . . . 0.453 ' HB2' ' CA ' ' B' ' 379' ' ' LEU . 1.7 mtt-85 -64.61 163.15 14.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.491 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.28 127.93 34.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.542 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.417 ' HG ' HD23 ' B' ' 379' ' ' LEU . 0.6 OUTLIER -130.13 109.06 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.439 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 385' ' ' ILE . . . . . 0.69 HG23 HG22 ' B' ' 182' ' ' ILE . 4.8 mp -100.97 110.95 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 1.5 p -97.4 146.16 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.395 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.69 ' O ' ' N ' ' B' ' 391' ' ' GLY . 66.4 t0 -135.1 82.07 1.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 388' ' ' GLY . . . . . 0.568 ' O ' ' HB3' ' B' ' 175' ' ' PRO . . . -47.74 -48.0 23.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 389' ' ' TYR . . . . . 0.563 ' CE2' HD12 ' B' ' 418' ' ' LEU . 27.2 t80 -39.52 -52.55 2.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.26 8.25 19.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.521 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 41.79 55.06 4.11 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.66 152.76 36.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.476 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 90.3 mt -121.48 125.77 47.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 16.1 mt -112.49 150.69 30.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 1.016 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 12.0 t -118.76 102.87 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.614 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.68 ' C ' ' O ' ' B' ' 395' ' ' VAL . 35.8 p-10 5.29 54.18 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.537 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 1.016 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 50.4 Cg_exo -48.27 -162.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.801 2.334 . . . . 0.0 112.072 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -68.27 120.67 76.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.461 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.05 -36.08 20.2 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.849 2.366 . . . . 0.0 112.152 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 3.7 m -72.97 -42.84 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -40.7 92.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.6 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -21.19 59.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.572 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -67.94 -54.24 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.79 -37.89 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.619 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -46.43 -51.09 15.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.674 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -31.63 72.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -79.72 -32.26 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -49.43 56.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.553 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 15.2 tt -65.78 -35.88 76.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.543 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -76.49 -16.23 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -63.35 -73.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.556 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 0.409 ' H ' ' H ' ' B' ' 413' ' ' ILE . 0.3 OUTLIER 171.16 11.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.615 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 0.969 HG22 ' O ' ' B' ' 413' ' ' ILE . 2.4 mp -75.51 55.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -123.38 111.78 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.566 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.68 -18.85 46.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.527 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.43 ' HB2' ' H ' ' B' ' 417' ' ' ARG . 0.9 OUTLIER -124.74 -80.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 417' ' ' ARG . . . . . 0.43 ' H ' ' HB2' ' B' ' 416' ' ' SER . 0.2 OUTLIER -139.39 -27.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.452 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 418' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' B' ' 419' ' ' ALA . 85.5 mt -140.65 -119.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.513 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 419' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' B' ' 418' ' ' LEU . . . 165.68 -80.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.536 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 420' ' ' GLU . . . . . 0.405 ' OE1' ' OD2' ' B' ' 387' ' ' ASP . 4.3 mt-10 54.23 64.04 1.96 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -145.13 -169.11 3.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.588 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' B' ' 423' ' ' VAL . 44.3 t0 -54.12 141.2 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.488 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 423' ' ' VAL . . . . . 0.512 ' N ' ' OD1' ' B' ' 422' ' ' ASP . 74.3 t -60.05 -57.37 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.619 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 67.1 t30 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.512 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.716 HG23 HG23 ' A' ' 68' ' ' THR . 0.1 OUTLIER -82.43 158.04 23.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -132.61 118.86 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 171.17 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -160.02 133.72 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.1 p -79.63 129.12 34.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.4 p -130.1 125.08 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.514 ' CD ' ' N ' ' A' ' 8' ' ' GLU . 1.4 pm0 -81.88 125.44 30.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.66 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.105 HG21 ' O ' ' A' ' 58' ' ' ALA . 17.8 tt -88.53 105.56 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.611 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.1 p -82.67 57.01 3.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.448 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 63.57 23.19 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.4 103.3 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.977 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -66.85 -0.98 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.637 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.9 -76.61 0.26 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.456 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 30.8 mmm -134.03 -163.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.497 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.75 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -55.47 -23.95 28.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 154.57 0.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.533 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.595 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 21.2 mtt-85 -54.47 -45.62 99.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 50.8 Cg_exo -48.41 -49.75 13.76 Favored 'Trans proline' 0 C--N 1.303 -1.831 0 C-N-CA 122.916 2.411 . . . . 0.0 112.102 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.57 89.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.684 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -68.5 -42.56 78.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.684 ' N ' ' HG3' ' A' ' 21' ' ' MET . 7.0 tttp -63.44 -36.69 84.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD11 HG23 ' A' ' 79' ' ' VAL . 1.3 mp -49.37 -44.43 44.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 13.1 m-85 -58.24 -37.66 75.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -75.2 -34.62 61.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.606 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.889 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 4.0 mm? -68.32 -39.97 81.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.834 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 64.4 ttp -59.2 -28.34 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -86.53 -28.91 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.637 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.43 -25.62 38.84 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.8 p90 -119.04 138.02 53.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.733 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.4 m-20 -80.03 109.64 14.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.609 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.759 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 157.75 149.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.569 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 34' ' ' VAL . 9.4 tp10 -99.58 126.52 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' N ' ' OE2' ' A' ' 33' ' ' GLU . 40.8 t -104.0 134.94 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.497 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -136.15 136.53 40.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 46' ' ' ALA . 2.2 mp -107.89 149.61 28.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -147.31 134.67 20.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -91.03 155.91 18.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.76 -27.04 16.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 85.7 tt0 -68.5 -9.79 51.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.582 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.07 12.26 60.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.3 m -85.45 116.69 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.659 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 32.3 mp0 -77.59 103.63 7.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.633 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.67 65.24 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.582 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -40.78 121.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.519 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.572 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.66 -9.19 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -100.02 26.77 6.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.641 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 124.93 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.465 ' H ' HG23 ' A' ' 49' ' ' VAL . 2.3 t -64.78 -35.43 75.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.788 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -61.58 -35.63 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.615 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.633 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.02 -41.38 86.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.488 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 57.4 tp -59.39 -38.19 79.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.576 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.788 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -65.94 -34.85 79.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.483 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 2.1 tmt? -69.93 -35.54 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.63 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 26.9 tp -64.16 -35.54 81.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.611 ' OD2' HD23 ' B' ' 291' ' ' LEU . 5.2 m-20 -52.93 -35.24 58.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.2 m -76.22 -6.28 50.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.105 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -83.28 28.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -68.57 97.85 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.932 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 105.02 5.08 41.38 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 1.03 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -105.91 164.18 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.516 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -97.95 142.48 29.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.66 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -130.12 162.12 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.439 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.66 ' N ' HG13 ' A' ' 63' ' ' ILE . 99.1 mt-10 -123.4 102.31 7.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.546 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.17 127.38 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.557 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -120.1 139.78 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.616 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.47 ' HB2' HD23 ' A' ' 76' ' ' LEU . . . -137.99 131.83 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.716 HG23 HG23 ' A' ' 2' ' ' THR . 0.3 OUTLIER -124.34 128.7 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.83 161.49 8.77 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.0 -45.64 20.61 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.798 2.332 . . . . 0.0 112.117 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' GLU . 28.9 mm-40 -92.57 5.74 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 17.0 pt-20 -36.98 -37.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -64.5 -48.67 74.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.496 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -57.54 -52.08 66.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.83 -50.22 69.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.599 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.947 ' O ' HG12 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -64.14 -43.95 93.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.91 ' O ' HG13 ' A' ' 80' ' ' ILE . . . -62.58 -41.87 99.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.52 98.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.947 HG12 ' O ' ' A' ' 76' ' ' LEU . 3.4 p -65.99 -44.29 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.572 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.91 HG13 ' O ' ' A' ' 77' ' ' ALA . 1.6 pp -63.33 -41.55 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.91 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -73.6 -36.51 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.603 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.4 m-85 -69.37 -33.32 72.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.55 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.464 ' OD1' ' O ' ' A' ' 80' ' ' ILE . 18.4 m120 -82.18 -5.7 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.53 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 170' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 393' ' ' LEU . 5.9 tpm_? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 96.4 mt -122.89 130.35 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.601 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -76.09 136.81 39.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.476 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -141.33 156.9 45.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.697 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.23 114.12 28.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.81 107.35 2.32 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 176' ' ' ALA . . . . . 0.457 ' HB1' ' NH2' ' B' ' 362' ' ' ARG . . . -85.17 -39.67 17.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.478 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.518 ' HB3' ' H ' ' B' ' 368' ' ' THR . . . -139.48 133.97 16.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.05 141.91 37.34 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.779 2.32 . . . . 0.0 112.259 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 139.4 160.74 8.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.29 137.46 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.513 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -145.23 146.81 31.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.53 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 182' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 26.7 pt -132.88 134.07 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.572 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 177.48 172.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 184' ' ' GLU . . . . . 0.958 ' O ' HG22 ' B' ' 324' ' ' ILE . 2.5 mp0 -72.73 162.48 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.588 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -93.01 134.45 12.18 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -120.09 102.55 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.544 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 187' ' ' GLN . . . . . 0.549 ' H ' ' CD ' ' B' ' 187' ' ' GLN . 2.5 pm0 -68.8 143.9 54.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.59 ' CG ' ' OG1' ' B' ' 190' ' ' THR . 47.8 t0 -76.29 100.36 5.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -62.49 -34.24 76.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.538 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 190' ' ' THR . . . . . 0.59 ' OG1' ' CG ' ' B' ' 188' ' ' ASP . 18.4 p -31.32 105.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.517 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 1.6 tt -132.98 115.77 14.33 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.799 ' O ' ' N ' ' B' ' 194' ' ' MET . 51.4 Cg_endo -72.98 74.47 2.91 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.751 2.301 . . . . 0.0 112.077 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' B' ' 196' ' ' GLN . 0.6 OUTLIER -42.54 -3.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 194' ' ' MET . . . . . 0.799 ' N ' ' O ' ' B' ' 192' ' ' PRO . 0.0 OUTLIER -45.51 -27.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.629 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.17 -27.59 42.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.64 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 196' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' B' ' 193' ' ' LEU . 0.3 OUTLIER -95.34 8.9 41.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.55 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.54 HG23 ' CE3' ' B' ' 270' ' ' TRP . 9.8 p -36.18 153.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -137.5 138.54 39.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.607 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 199' ' ' GLN . . . . . 0.446 ' OE1' ' CA ' ' B' ' 199' ' ' GLN . 0.0 OUTLIER -70.28 138.99 52.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.685 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -147.37 117.63 7.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.59 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 33.2 t -78.57 88.75 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.25 91.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.661 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 0.853 ' N ' HD23 ' B' ' 203' ' ' LEU . 0.1 OUTLIER -100.29 153.36 19.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.911 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.1 OUTLIER -155.64 104.25 2.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -71.53 -17.11 30.37 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.869 2.379 . . . . 0.0 112.036 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 206' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -100.5 -49.1 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 207' ' ' LEU . . . . . 0.482 ' O ' ' CG ' ' B' ' 211' ' ' ARG . 1.0 OUTLIER -74.6 -31.3 61.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.455 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.911 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 65.3 mm-40 -75.86 -62.27 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 209' ' ' ARG . . . . . 0.48 ' CG ' ' CD1' ' B' ' 259' ' ' PHE . 0.0 OUTLIER -49.75 -55.71 12.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.449 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 210' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' B' ' 206' ' ' ALA . 70.4 mt-10 -57.55 -43.74 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.373 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.581 ' NH1' ' OE2' ' B' ' 269' ' ' GLU . 10.6 mtp180 -52.38 -40.13 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' B' ' 258' ' ' LEU . 1.1 mp -63.7 -48.31 77.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 62.1 m -56.41 -47.43 79.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.314 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.33 -38.69 96.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.81 -43.94 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.461 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.64 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.9 tt -60.32 -46.9 88.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.509 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.45 -32.5 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 218' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 222' ' ' GLU . 19.0 tp10 -79.67 -31.47 41.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.61 -45.88 8.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.64 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.17 -51.01 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.564 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 221' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -19.38 63.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.497 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.6 OUTLIER -66.6 -52.03 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.434 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 223' ' ' PHE . . . . . 0.81 ' CD1' ' N ' ' B' ' 224' ' ' ARG . 1.6 p90 -68.0 -40.0 83.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 224' ' ' ARG . . . . . 0.81 ' N ' ' CD1' ' B' ' 223' ' ' PHE . 10.4 ttp-105 -52.54 -50.07 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -74.41 -32.02 62.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.713 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.4 OUTLIER -62.57 -62.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.508 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 227' ' ' SER . . . . . 0.724 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 90.1 p -55.54 -52.59 63.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.584 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -43.39 -37.11 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 229' ' ' ARG . . . . . 0.413 ' HB3' ' NH2' ' B' ' 229' ' ' ARG . 0.6 OUTLIER -68.93 -38.55 79.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 227' ' ' SER . 7.3 m-85 -66.51 -43.79 84.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.589 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -53.32 -37.48 62.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.557 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.35 -9.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.508 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 233' ' ' GLY . . . . . 0.975 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -165.9 -97.37 0.11 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.975 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . 8.15 -145.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 110.591 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.456 ' O ' ' OG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -107.4 151.61 25.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -62.24 -27.83 69.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -57.91 -45.36 86.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 38.6 p -52.89 -51.46 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -54.51 -41.07 69.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.69 -41.17 85.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.507 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' B' ' 241' ' ' ILE . 41.1 mm -61.63 -47.45 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.613 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.783 ' CD1' ' C ' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -56.9 -53.04 62.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.605 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.616 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 2.4 t0 -45.73 -44.51 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 0.558 ' O ' ' HG ' ' B' ' 248' ' ' LEU . 0.4 OUTLIER -75.96 -33.42 59.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.638 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.543 ' CE2' HD12 ' B' ' 249' ' ' LEU . 17.2 t80 -60.37 -41.46 93.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 246' ' ' SER . . . . . 0.513 ' O ' ' OG ' ' B' ' 250' ' ' SER . 3.1 m -57.15 -41.34 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.782 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 4.9 m-70 -61.56 -30.89 70.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.537 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.615 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 5.8 mt -74.79 -55.18 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.527 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.543 HD12 ' CE2' ' B' ' 245' ' ' TYR . 2.9 mt -69.82 -42.97 72.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 250' ' ' SER . . . . . 0.513 ' OG ' ' O ' ' B' ' 246' ' ' SER . 51.7 p -71.92 -18.02 62.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.913 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -55.85 108.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 1.6 m -57.78 -1.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.776 ' O ' ' HG3' ' B' ' 256' ' ' ARG . 0.0 OUTLIER -75.17 -39.66 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 254' ' ' LEU . . . . . 0.637 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 1.3 tp -67.73 -46.02 73.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.639 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -57.48 -48.22 79.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.677 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 256' ' ' ARG . . . . . 0.776 ' HG3' ' O ' ' B' ' 253' ' ' ARG . 5.4 ppt_? -66.82 -39.35 87.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' B' ' 256' ' ' ARG . 19.8 mm-40 -59.79 -51.78 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.586 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.503 ' CB ' HD21 ' B' ' 212' ' ' LEU . 4.8 mt -60.84 -47.63 85.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 259' ' ' PHE . . . . . 0.48 ' CD1' ' CG ' ' B' ' 209' ' ' ARG . 51.6 t80 -59.09 -36.04 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.11 84.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.649 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.54 -38.92 91.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.544 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.77 -42.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -13.44 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.552 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -24.17 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 265' ' ' GLY . . . . . 0.763 ' HA2' HD13 ' B' ' 203' ' ' LEU . . . 122.17 26.44 1.85 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 21.3 t -103.98 159.94 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.568 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 2.2 t -98.7 149.17 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.594 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.499 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -54.4 -45.53 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.581 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.581 ' OE2' ' NH1' ' B' ' 211' ' ' ARG . 19.4 mp0 -46.39 -43.9 16.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 270' ' ' TRP . . . . . 0.638 ' O ' ' HG3' ' B' ' 273' ' ' LYS . 2.8 m95 -86.19 -28.19 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -65.64 -46.91 77.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.517 HG23 ' N ' ' B' ' 273' ' ' LYS . 30.2 m -59.44 -42.64 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' B' ' 270' ' ' TRP . 0.0 OUTLIER -79.01 -44.18 22.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.595 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 274' ' ' THR . . . . . 0.567 ' H ' ' HG3' ' B' ' 273' ' ' LYS . 76.4 m -59.77 -56.49 21.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.41 HG21 ' HA ' ' B' ' 258' ' ' LEU . 59.5 t -57.6 -49.06 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.573 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' B' ' 272' ' ' VAL . 7.3 mm -58.15 -42.74 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.508 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.429 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 35.6 mm-40 -63.66 -36.69 84.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 278' ' ' LYS . . . . . 0.411 ' CB ' ' NZ ' ' B' ' 278' ' ' LYS . 0.0 OUTLIER -64.31 -39.82 94.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 279' ' ' PHE . . . . . 0.673 ' CD2' ' NE2' ' B' ' 282' ' ' GLN . 9.0 m-85 -79.39 -26.53 41.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.93 80.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.57 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 3.0 mp0 -77.68 -43.17 32.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 282' ' ' GLN . . . . . 0.673 ' NE2' ' CD2' ' B' ' 279' ' ' PHE . 3.9 pt20 -59.26 -29.86 67.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.474 ' CE2' ' HB3' ' B' ' 294' ' ' ARG . 0.2 OUTLIER -81.05 -34.1 33.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.587 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 284' ' ' ALA . . . . . 0.503 ' O ' ' NZ ' ' B' ' 292' ' ' LYS . . . -63.05 -37.34 86.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.446 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -52.0 -26.68 11.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 1.069 HD23 ' N ' ' B' ' 287' ' ' SER . 2.8 tt -47.82 132.82 14.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 287' ' ' SER . . . . . 1.069 ' N ' HD23 ' B' ' 286' ' ' LEU . 96.8 p -82.24 -46.15 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.534 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.76 ' O ' HD22 ' B' ' 286' ' ' LEU . 0.0 OUTLIER -65.39 131.77 47.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.525 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 289' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' B' ' 292' ' ' LYS . 0.1 OUTLIER -82.04 -20.41 38.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 290' ' ' TYR . . . . . 0.495 ' CB ' ' OD2' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -59.54 -34.1 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.611 HD23 ' OD2' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -109.34 -37.59 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.612 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.718 ' N ' HD13 ' B' ' 286' ' ' LEU . 13.3 tttp -44.53 -42.9 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -29.03 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.45 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.481 ' NH2' HD11 ' B' ' 248' ' ' LEU . 2.2 ttm-85 -46.1 -33.98 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -44.57 -48.91 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.73 -42.44 28.44 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -66.63 -40.05 88.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.82 0.343 . . . . 0.0 110.442 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 298' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' B' ' 301' ' ' LEU . 0.1 OUTLIER -61.2 -56.08 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.462 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 49.8 ttp85 -53.63 -42.87 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.299 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -65.3 -36.92 85.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.512 HD13 ' OH ' ' B' ' 245' ' ' TYR . 14.5 tp -56.95 -44.06 82.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.393 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.6 -40.53 98.75 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -41.47 98.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.667 ' O ' ' ND1' ' B' ' 308' ' ' HIS . 1.6 mtp180 -67.18 -40.74 86.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.342 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -35.11 70.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.299 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.0 tp -66.59 -42.33 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.358 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 307' ' ' PHE . . . . . 0.506 ' CE2' ' OD1' ' B' ' 313' ' ' ASN . 8.7 m-85 -66.36 -40.83 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.667 ' ND1' ' O ' ' B' ' 304' ' ' ARG . 34.1 m170 -67.45 -25.56 65.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -5.5 42.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -133.71 83.07 2.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -52.77 -18.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.548 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.83 -30.83 71.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.619 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.506 ' OD1' ' CE2' ' B' ' 307' ' ' PHE . 5.1 t-20 -81.27 -150.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 314' ' ' GLN . . . . . 0.451 ' H ' ' CG ' ' B' ' 313' ' ' ASN . 4.4 mp0 -107.0 122.8 47.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -49.82 -82.54 0.04 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -72.79 -87.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.816 2.344 . . . . 0.0 112.141 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 317' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' B' ' 318' ' ' ALA . 2.5 t30 -175.52 21.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.533 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 318' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' B' ' 317' ' ' ASN . . . 38.08 76.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.75 123.95 83.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 0.436 ' HG2' ' HB2' ' B' ' 323' ' ' PHE . 50.1 Cg_endo -72.8 -178.54 3.53 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.823 2.349 . . . . 0.0 112.065 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -75.09 -42.1 57.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.664 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 38.0 ttt180 -144.75 131.8 20.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.5 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.73 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 0.6 OUTLIER -179.1 160.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.561 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.958 HG22 ' O ' ' B' ' 184' ' ' GLU . 1.3 tt -111.52 147.01 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' B' ' 325' ' ' LEU . 22.9 tp -84.44 133.74 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.56 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 2.1 t -134.24 92.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -122.87 154.49 38.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.613 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 328' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 27.4 p-10 -61.93 -25.31 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.551 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.476 ' OE2' ' OG ' ' B' ' 331' ' ' SER . 2.8 pp20? -153.27 124.86 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.558 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.11 121.34 11.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 331' ' ' SER . . . . . 0.476 ' OG ' ' OE2' ' B' ' 329' ' ' GLU . 2.5 m -120.28 128.58 53.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.7 82.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 10.1 p -62.77 -37.2 85.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.503 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 98.4 m -59.95 -51.34 70.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.513 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.503 HD11 HD22 ' B' ' 343' ' ' LEU . 3.0 tp -61.52 -30.84 70.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.548 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 336' ' ' ALA . . . . . 0.713 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -70.21 7.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.524 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' B' ' 335' ' ' LEU . 3.5 mm-40 -105.67 -30.5 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.45 121.66 33.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.36 149.43 4.21 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.848 2.366 . . . . 0.0 112.178 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 340' ' ' GLN . . . . . 0.454 ' OE1' HD23 ' B' ' 343' ' ' LEU . 2.3 tp-100 -65.1 -21.5 66.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.541 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.1 -42.76 99.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.633 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.454 ' O ' ' HG2' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -76.7 -23.38 53.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.503 HD22 HD11 ' B' ' 335' ' ' LEU . 25.1 tp -73.53 113.69 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.541 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.537 ' O ' HG12 ' B' ' 344' ' ' VAL . 39.5 t -120.43 -0.65 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -178.52 166.25 36.0 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.484 ' HB ' HG23 ' B' ' 368' ' ' THR . 0.0 OUTLIER -146.8 142.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.339 . . . . 0.0 110.554 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 347' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' B' ' 386' ' ' VAL . 7.0 t -153.63 131.6 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 1.4 m -133.32 158.31 42.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.601 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 -89.99 -36.52 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' B' ' 351' ' ' GLY . 61.9 t0 -62.43 137.1 58.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.651 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.413 ' N ' ' OD1' ' B' ' 350' ' ' ASP . . . -89.23 50.32 3.61 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -109.5 110.59 21.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.718 0.294 . . . . 0.0 110.589 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -109.51 3.06 20.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -99.82 3.63 44.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.94 147.48 46.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -53.43 -38.85 63.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.548 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.22 86.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.02 -41.47 78.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.401 HD12 ' N ' ' B' ' 359' ' ' ILE . 1.6 mp -77.06 -26.69 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 2.7 ttm -67.12 -50.91 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.513 HG23 ' N ' ' B' ' 362' ' ' ARG . 28.2 m -63.39 -42.37 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.513 ' N ' HG23 ' B' ' 361' ' ' VAL . 4.9 ttm-85 -61.27 -46.24 91.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.68 66.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.541 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 364' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' B' ' 364' ' ' LEU . 7.1 mt -67.71 -28.24 67.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.53 17.44 39.1 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 366' ' ' ILE . . . . . 0.768 HG23 ' HD2' ' B' ' 367' ' ' PRO . 68.3 mt -98.89 145.45 29.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.943 0.401 . . . . 0.0 110.518 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 367' ' ' PRO . . . . . 0.768 ' HD2' HG23 ' B' ' 366' ' ' ILE . 49.5 Cg_endo -72.84 128.16 12.99 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.892 2.395 . . . . 0.0 112.026 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 368' ' ' THR . . . . . 0.518 ' H ' ' HB3' ' B' ' 177' ' ' ALA . 99.6 m -140.0 151.26 45.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.503 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.08 151.1 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.459 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 59.6 mtt -133.82 164.33 27.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 91.55 2.61 69.9 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -57.04 108.86 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.607 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.15 60.34 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 17.0 tt -148.59 138.07 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.579 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.57 ' N ' ' OE1' ' B' ' 375' ' ' GLN . 0.7 OUTLIER -66.11 135.12 95.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.576 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.93 -24.49 17.53 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.768 2.312 . . . . 0.0 112.07 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 59.7 p -66.53 -21.71 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 378' ' ' VAL . . . . . 0.483 HG12 ' O ' ' B' ' 378' ' ' VAL . 4.9 t -100.83 16.59 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.554 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.602 ' HA ' ' HB2' ' B' ' 382' ' ' ARG . 86.5 mt -121.64 2.25 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.682 ' O ' ' O ' ' B' ' 185' ' ' GLY . 48.2 t60 -36.44 -93.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.663 ' HD3' ' H ' ' B' ' 381' ' ' ARG . 0.0 OUTLIER -78.96 -13.83 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 382' ' ' ARG . . . . . 0.602 ' HB2' ' HA ' ' B' ' 379' ' ' LEU . 0.4 OUTLIER -52.86 140.91 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.608 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 39.3 m -69.96 130.21 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.588 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.3 122.9 48.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 385' ' ' ILE . . . . . 0.554 ' CD1' ' HD2' ' B' ' 397' ' ' PRO . 18.5 mt -124.55 105.11 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 386' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' B' ' 347' ' ' VAL . 6.1 m -108.85 155.91 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.539 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.4 t0 -145.29 93.71 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 388' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -58.19 -37.05 85.3 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 389' ' ' TYR . . . . . 0.437 ' HB2' ' OD1' ' B' ' 387' ' ' ASP . 12.2 m-85 -55.6 -48.15 75.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.512 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 390' ' ' ARG . . . . . 0.509 ' NH1' ' CD2' ' B' ' 405' ' ' TYR . 91.5 mtt180 -95.01 -14.74 24.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.594 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 58.22 59.34 10.98 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.52 164.81 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 0.0 110.713 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 170' ' ' ARG . 21.2 tp -124.09 126.19 45.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.607 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.704 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 4.7 mt -116.16 159.64 21.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.643 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.671 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 28.9 m -132.43 117.59 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.575 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.569 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.0 OUTLIER 25.82 51.96 0.27 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.547 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.704 ' HG3' ' HB3' ' B' ' 394' ' ' LEU . 48.8 Cg_endo -72.3 163.43 38.67 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.865 2.377 . . . . 0.0 112.138 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 398' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 400' ' ' VAL . 57.5 tt0 -49.72 101.94 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 399' ' ' PRO . . . . . 0.59 ' HD3' ' O ' ' B' ' 397' ' ' PRO . 51.7 Cg_exo -48.13 -8.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.848 2.365 . . . . 0.0 112.096 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 400' ' ' VAL . . . . . 0.485 ' H ' ' C ' ' B' ' 398' ' ' GLU . 79.4 t -72.21 -51.31 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.619 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.53 -44.18 94.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.77 -36.16 80.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -65.18 -49.61 69.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -66.86 -43.3 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.565 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 405' ' ' TYR . . . . . 0.509 ' CD2' ' NH1' ' B' ' 390' ' ' ARG . 1.2 m-85 -51.32 -43.5 61.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 406' ' ' GLN . . . . . 0.423 ' O ' HG22 ' B' ' 409' ' ' ILE . 55.4 mm-40 -66.51 -33.75 76.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.626 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -78.84 -32.87 46.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 68.0 mt -69.53 -41.59 75.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 409' ' ' ILE . . . . . 0.423 HG22 ' O ' ' B' ' 406' ' ' GLN . 2.8 tp -69.69 -35.59 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 410' ' ' SER . . . . . 0.423 ' N ' ' CG2' ' B' ' 409' ' ' ILE . 89.0 p -63.58 -39.86 95.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.471 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -102.82 -72.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 0.76 ' O ' ' O ' ' B' ' 413' ' ' ILE . 1.4 mt-10 -77.7 59.41 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 1.199 HG23 ' N ' ' B' ' 414' ' ' GLU . 0.3 OUTLIER -47.48 -136.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.549 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 1.199 ' N ' HG23 ' B' ' 413' ' ' ILE . 2.8 mm-40 -134.09 -162.23 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.554 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 415' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' B' ' 415' ' ' LEU . 0.1 OUTLIER -108.22 -17.86 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 11.0 t -70.29 -82.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.473 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -96.97 68.11 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 418' ' ' LEU . . . . . 0.579 ' H ' ' CD2' ' B' ' 418' ' ' LEU . 0.0 OUTLIER -40.5 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.57 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -160.64 -127.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.611 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -101.04 -20.98 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -104.42 171.94 7.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -120.25 83.74 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 423' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' B' ' 424' ' ' ASN . 2.1 p -172.14 107.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.58 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 424' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' B' ' 423' ' ' VAL . 16.5 t30 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.622 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.7 p -83.15 159.32 22.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.431 ' O ' HD12 ' A' ' 76' ' ' LEU . 85.4 t -133.55 118.06 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.534 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -124.99 172.96 8.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.718 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -160.57 134.74 7.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 6' ' ' THR . 14.0 t -81.64 126.86 32.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.652 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 7' ' ' VAL . 16.9 m -128.24 125.7 64.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.589 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -82.31 126.5 32.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.59 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.19 HG22 ' O ' ' A' ' 61' ' ' ARG . 19.9 tt -89.28 104.61 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.767 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.2 p -81.75 53.9 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.527 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 65.24 23.93 12.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -163.65 99.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.986 ' HA ' ' CZ ' ' A' ' 83' ' ' PHE . 2.3 tt -62.38 -7.65 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.75 -42.47 1.02 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.8 tpp -170.55 -172.2 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.727 0.299 . . . . 0.0 110.572 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -50.81 -48.81 59.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' H ' ' H ' ' A' ' 18' ' ' ARG . . . -175.76 0.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.489 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.514 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 1.2 mpt_? -50.72 -56.88 15.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.516 ' O ' HD13 ' A' ' 23' ' ' LEU . 53.7 Cg_exo -47.15 -53.38 6.43 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.771 2.314 . . . . 0.0 112.165 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.49 96.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.541 ' SD ' HD12 ' B' ' 244' ' ' LEU . 0.6 OUTLIER -66.36 -42.48 87.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.443 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -62.95 -37.37 86.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.056 HD11 HG22 ' A' ' 79' ' ' VAL . 1.7 mp -49.39 -44.93 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.449 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE2' ' NE2' ' B' ' 247' ' ' HIS . 0.2 OUTLIER -57.01 -40.47 76.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -72.78 -35.19 67.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.49 -44.37 82.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.593 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -55.12 -31.67 61.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.428 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.593 ' N ' ' HG3' ' A' ' 27' ' ' MET . 24.9 mt-30 -81.97 -30.31 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.39 -30.24 31.01 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.91 152.76 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 110.554 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.764 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -95.49 94.84 8.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.602 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 167.84 156.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.601 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -101.52 129.32 47.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.441 ' O ' HD23 ' A' ' 35' ' ' LEU . 79.7 t -106.77 133.86 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.544 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 34' ' ' VAL . 63.4 mt -134.38 139.32 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.534 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 15.4 mt -109.45 149.48 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.584 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 1.073 ' O ' HG23 ' A' ' 63' ' ' ILE . 12.0 mtt-85 -145.84 136.79 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.654 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -94.28 154.61 17.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.24 -28.37 11.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.522 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -67.97 -11.31 58.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.69 11.25 59.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -84.02 117.4 23.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.758 0.313 . . . . 0.0 110.591 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.526 ' HG2' HH21 ' A' ' 37' ' ' ARG . 3.6 tm-20 -78.11 103.73 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.635 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.76 64.98 6.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 2.8 mt-10 -40.39 121.21 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -10.03 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.75 27.94 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.629 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -145.84 123.5 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.748 ' O ' HD13 ' A' ' 53' ' ' LEU . 4.1 t -63.72 -36.25 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.491 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 50' ' ' ILE . 4.1 tt -61.25 -35.98 69.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.508 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.635 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.56 -42.93 86.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.575 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.46 -38.51 77.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.748 HD13 ' O ' ' A' ' 49' ' ' VAL . 9.3 mp -65.04 -35.73 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -36.68 78.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.593 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -63.16 -35.13 79.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.547 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -53.1 -34.78 58.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.475 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.0 -5.89 50.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.067 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -83.76 29.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.581 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 9.8 pttt -69.66 97.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.86 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 105.6 6.02 38.66 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 1.19 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -107.08 163.99 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.729 0.3 . . . . 0.0 110.555 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -95.89 144.85 25.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.67 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.073 HG23 ' O ' ' A' ' 37' ' ' ARG . 2.4 mp -131.73 160.11 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.507 ' N ' HG22 ' A' ' 63' ' ' ILE . 99.9 mt-10 -122.75 100.64 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.436 HG13 ' CD2' ' A' ' 36' ' ' LEU . 35.9 t -81.5 128.13 38.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.489 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.638 ' CD ' HH11 ' A' ' 37' ' ' ARG . 30.5 tt0 -120.93 140.54 51.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.608 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.75 130.68 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.676 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 6.0 t -121.27 140.32 52.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.8 -177.66 18.91 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.764 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.5 Cg_endo -71.53 -37.82 5.11 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.812 2.341 . . . . 0.0 112.134 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 72' ' ' GLU . 6.1 mm100 -97.68 4.16 50.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 71' ' ' GLN . 20.6 pt-20 -36.85 -40.34 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.72 -50.47 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.554 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 71' ' ' GLN . 26.3 tp10 -57.78 -51.71 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.552 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.813 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.54 -49.62 72.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -64.79 -44.05 91.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.522 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.2 99.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.43 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.7 98.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.056 HG22 HD11 ' A' ' 23' ' ' LEU . 26.2 t -65.96 -43.34 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.47 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.6 mt -63.97 -42.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.22 -37.89 87.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.301 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.06 -35.02 66.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.378 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.986 ' CZ ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -71.94 -30.13 65.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.453 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 85' ' ' SER . 98.3 m-20 -85.83 -3.43 58.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.9 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.51 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 5.3 ptm85 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 81.1 mt -98.4 124.07 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -77.05 112.81 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -120.61 157.21 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' B' ' 174' ' ' LEU . 3.2 mm? -67.69 112.76 11.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -73.3 108.09 2.53 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.765 2.31 . . . . 0.0 112.202 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 176' ' ' ALA . . . . . 0.905 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -83.41 -51.26 7.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -125.11 136.63 28.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.454 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.19 144.24 41.45 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.834 2.356 . . . . 0.0 112.129 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 135.32 167.34 11.31 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 33.2 m -128.88 148.99 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.946 0.403 . . . . 0.0 110.493 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -156.58 153.24 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 25.2 pt -130.77 135.05 61.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.565 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.488 ' HB3' HG23 ' B' ' 324' ' ' ILE . . . 179.71 176.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 184' ' ' GLU . . . . . 0.585 ' O ' HG12 ' B' ' 324' ' ' ILE . 4.3 pt-20 -82.79 165.79 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.616 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.625 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.3 138.94 14.18 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 186' ' ' TRP . . . . . 0.516 ' CD1' ' NE1' ' B' ' 319' ' ' TRP . 40.7 t90 -146.71 135.42 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.577 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -98.66 150.53 21.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -66.62 166.87 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.536 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -86.7 54.2 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 92.4 m -111.64 128.11 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.68 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 191' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' B' ' 193' ' ' LEU . 29.2 mt -120.86 150.41 52.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.746 ' O ' ' N ' ' B' ' 194' ' ' MET . 52.5 Cg_exo -47.62 77.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.88 2.387 . . . . 0.0 112.092 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.957 ' H ' ' CD1' ' B' ' 193' ' ' LEU . 0.0 OUTLIER -43.25 -5.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 194' ' ' MET . . . . . 0.777 ' O ' HG12 ' B' ' 197' ' ' VAL . 10.2 mtp -67.17 -39.23 86.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.661 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.95 -7.17 51.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.631 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -87.64 20.51 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.777 HG12 ' O ' ' B' ' 194' ' ' MET . 11.3 p -108.62 99.35 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.594 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -128.91 177.19 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -136.56 128.3 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -144.49 150.34 37.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 74.8 m -108.65 90.48 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 202' ' ' THR . . . . . 0.563 ' O ' ' OD2' ' B' ' 204' ' ' ASP . 0.0 OUTLIER -151.82 86.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 0.752 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 1.2 pp -56.65 129.84 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 1.006 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 1.1 m-20 -155.84 67.71 4.83 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.423 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 39.0 Cg_endo -70.26 -46.62 0.96 Allowed 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.842 2.361 . . . . 0.0 112.21 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -60.34 -49.25 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 207' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 56.2 mt -79.28 -40.15 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.442 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 1.006 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 5.3 tp10 -67.86 -56.8 7.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 209' ' ' ARG . . . . . 0.556 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 53.3 ttt85 -45.37 -49.11 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 210' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' B' ' 210' ' ' GLU . 0.1 OUTLIER -70.91 -36.46 72.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.373 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.62 HH12 ' CD ' ' B' ' 269' ' ' GLU . 9.8 ttt-85 -57.48 -47.1 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.395 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.771 ' C ' HD13 ' B' ' 212' ' ' LEU . 3.5 tm? -67.98 -52.14 39.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.41 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 213' ' ' THR . . . . . 0.445 ' O ' ' OE1' ' B' ' 217' ' ' GLU . 85.8 m -55.68 -51.96 65.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.501 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -57.58 -37.76 84.34 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -70.35 -46.09 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 110.422 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.835 ' C ' HD12 ' B' ' 216' ' ' LEU . 0.2 OUTLIER -60.49 -48.04 83.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.396 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.797 ' N ' ' HG ' ' B' ' 216' ' ' LEU . 0.4 OUTLIER -60.72 -37.02 80.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.353 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.76 -33.45 72.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.463 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -87.74 -45.7 10.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -55.68 -51.56 66.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.504 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 87.7 m-20 -63.18 -35.54 80.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.455 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.563 ' OE1' ' CE1' ' B' ' 308' ' ' HIS . 1.1 tt0 -70.96 -35.89 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.604 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 223' ' ' PHE . . . . . 0.658 ' CD1' ' NH1' ' B' ' 304' ' ' ARG . 0.7 OUTLIER -76.08 -41.91 49.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.426 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 224' ' ' ARG . . . . . 0.458 HH21 ' HD2' ' B' ' 224' ' ' ARG . 4.5 ttm105 -52.13 -54.94 24.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.518 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 225' ' ' ARG . . . . . 0.43 ' NH1' ' HG3' ' B' ' 222' ' ' GLU . 1.6 ptt180 -68.17 -24.29 64.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.519 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' B' ' 222' ' ' GLU . 0.1 OUTLIER -66.61 -55.77 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.446 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 227' ' ' SER . . . . . 0.678 ' OG ' ' HB3' ' B' ' 242' ' ' PHE . 75.0 m -57.08 -50.21 73.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.446 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -51.08 -41.38 59.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -71.81 -34.67 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.437 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -68.86 -42.28 77.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.45 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 231' ' ' ALA . . . . . 0.656 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -58.73 -37.45 76.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.92 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -116.09 20.36 12.89 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -135.85 -136.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.877 0.37 . . . . 0.0 110.587 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.545 ' O ' ' OG1' ' B' ' 238' ' ' THR . 19.1 pm0 -129.22 169.5 14.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -26.19 68.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.94 -41.58 92.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.545 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 1.8 p -63.66 -59.37 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.639 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 239' ' ' ALA . . . . . 0.656 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -51.05 -45.55 61.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.91 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 6.8 mm -66.62 -59.76 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.678 ' HB3' ' OG ' ' B' ' 227' ' ' SER . 33.5 m-85 -58.26 -60.43 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' B' ' 242' ' ' PHE . 64.7 t0 -34.35 -41.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.538 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 0.95 HD23 ' C ' ' B' ' 244' ' ' LEU . 1.3 tt -69.94 -40.04 75.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.559 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.724 ' N ' HD23 ' B' ' 244' ' ' LEU . 0.9 OUTLIER -68.74 -43.29 76.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.469 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 73.1 m -49.47 -45.09 46.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.521 ' NE2' ' CE2' ' A' ' 24' ' ' PHE . 13.0 t60 -70.22 -22.21 62.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.596 ' C ' HD23 ' B' ' 248' ' ' LEU . 8.3 tt -69.55 -47.91 62.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.592 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.34 -44.19 84.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 88.1 p -75.2 -12.11 60.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.474 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' B' ' 253' ' ' ARG . 61.1 t0 -55.94 121.21 8.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.483 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 62.1 p -58.55 -2.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.752 ' HE ' ' N ' ' B' ' 254' ' ' LEU . 1.5 tmm_? -80.79 -47.23 14.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 254' ' ' LEU . . . . . 0.752 ' N ' ' HE ' ' B' ' 253' ' ' ARG . 12.0 tp -69.01 -37.29 78.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.441 HH12 ' NH2' ' B' ' 209' ' ' ARG . 3.3 ttp85 -68.07 -44.94 75.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.654 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.44 -47.69 78.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.792 ' OE2' ' CE1' ' B' ' 279' ' ' PHE . 3.4 tt0 -57.01 -52.06 66.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.767 ' C ' HD13 ' B' ' 258' ' ' LEU . 3.1 tm? -53.85 -58.25 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 259' ' ' PHE . . . . . 0.487 ' N ' HD13 ' B' ' 258' ' ' LEU . 63.0 t80 -53.87 -33.73 57.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 260' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -60.49 -41.0 93.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.629 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -43.41 92.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.06 -36.95 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.446 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.09 -12.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.489 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -99.36 -19.82 16.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 123.92 10.12 5.41 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 46.4 m -83.15 154.98 24.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.615 0.245 . . . . 0.0 110.632 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 267' ' ' VAL . . . . . 0.629 ' O ' ' CB ' ' B' ' 271' ' ' ALA . 3.1 t -97.92 148.14 6.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' B' ' 272' ' ' VAL . . . -54.1 -51.59 63.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.62 ' CD ' HH12 ' B' ' 211' ' ' ARG . 1.9 mm-40 -40.06 -67.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.664 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 270' ' ' TRP . . . . . 0.715 ' CZ3' HG23 ' B' ' 197' ' ' VAL . 5.2 t-105 -73.82 -42.94 60.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.629 ' CB ' ' O ' ' B' ' 267' ' ' VAL . . . -54.28 -53.91 47.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.556 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' B' ' 268' ' ' ALA . 53.4 t -56.21 -33.7 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' B' ' 193' ' ' LEU . 0.0 OUTLIER -72.84 -30.53 64.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.506 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 274' ' ' THR . . . . . 0.685 ' OG1' ' CZ2' ' B' ' 270' ' ' TRP . 15.0 m -72.57 -57.32 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.818 HG13 ' H ' ' B' ' 276' ' ' ILE . 5.5 p -48.28 -60.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.601 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.818 ' H ' HG13 ' B' ' 275' ' ' VAL . 1.9 pp -53.79 -38.04 34.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' B' ' 281' ' ' GLU . 2.5 mm-40 -71.15 -36.6 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.499 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 278' ' ' LYS . . . . . 0.408 ' HB3' ' NZ ' ' B' ' 278' ' ' LYS . 3.2 mtmp? -66.34 -38.35 87.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 279' ' ' PHE . . . . . 0.792 ' CE1' ' OE2' ' B' ' 257' ' ' GLU . 20.7 m-85 -74.17 -27.87 61.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.574 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.76 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.519 ' OE2' ' O ' ' B' ' 277' ' ' GLU . 0.4 OUTLIER -77.93 -39.47 42.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.17 -47.36 86.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.446 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 5.9 m-30 -60.82 -49.12 78.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.627 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 284' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -57.87 -49.38 76.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.562 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 285' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -29.4 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.704 ' N ' HD12 ' B' ' 286' ' ' LEU . 6.1 mp -64.92 165.16 11.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 71.8 p -95.8 -37.29 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.577 ' HB3' ' CD2' ' B' ' 291' ' ' LEU . 0.9 OUTLIER -48.28 134.72 14.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.533 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -84.31 -31.25 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.588 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.77 -32.86 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.616 HD12 ' N ' ' B' ' 292' ' ' LYS . 3.2 pp -94.37 -47.63 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.519 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.616 ' N ' HD12 ' B' ' 291' ' ' LEU . 0.5 OUTLIER -40.72 -41.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -71.17 -40.83 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.446 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.63 HH11 ' CD2' ' B' ' 244' ' ' LEU . 37.9 tpt85 -51.57 -31.05 23.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.508 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -52.62 -44.16 65.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.47 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -45.71 -43.13 11.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.52 -37.73 87.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.401 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 10.8 tp -56.95 -56.88 15.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -55.05 -44.49 74.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.37 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.403 ' HB1' HG21 ' B' ' 333' ' ' THR . . . -59.97 -37.3 79.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.323 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.724 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.2 OUTLIER -58.63 -39.42 80.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.279 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 302' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -61.57 -43.12 99.71 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 303' ' ' GLN . . . . . 0.498 ' NE2' ' CD1' ' B' ' 307' ' ' PHE . 10.6 tm0? -60.81 -37.39 81.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 110.294 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.658 ' NH1' ' CD1' ' B' ' 223' ' ' PHE . 0.9 OUTLIER -72.68 -39.18 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.268 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 305' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' B' ' 309' ' ' LEU . 0.7 OUTLIER -68.17 -43.29 78.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.309 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.22 -39.34 94.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.361 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 307' ' ' PHE . . . . . 0.498 ' CD1' ' NE2' ' B' ' 303' ' ' GLN . 3.0 m-85 -63.59 -47.32 81.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.449 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.631 ' HD2' ' O ' ' B' ' 304' ' ' ARG . 38.6 m-70 -75.23 -16.75 60.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 0.4 OUTLIER -72.8 -18.21 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' B' ' 312' ' ' ALA . 1.1 m-20 -103.37 127.36 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' B' ' 310' ' ' ASP . 6.9 m-20 -39.5 -20.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' B' ' 310' ' ' ASP . . . -60.67 -45.04 95.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.543 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.707 ' O ' ' O ' ' B' ' 314' ' ' GLN . 0.1 OUTLIER 45.42 -155.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.689 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 314' ' ' GLN . . . . . 0.707 ' O ' ' O ' ' B' ' 313' ' ' ASN . 0.7 OUTLIER -29.16 160.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.521 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 315' ' ' GLY . . . . . 0.563 ' C ' ' H ' ' B' ' 317' ' ' ASN . . . -144.85 171.95 25.89 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 316' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' B' ' 317' ' ' ASN . 51.9 Cg_exo -47.93 -5.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 122.833 2.355 . . . . 0.0 112.178 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 317' ' ' ASN . . . . . 0.563 ' H ' ' C ' ' B' ' 315' ' ' GLY . 13.0 p30 -46.57 175.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 318' ' ' ALA . . . . . 0.535 ' HB1' ' NH2' ' B' ' 342' ' ' ARG . . . 68.26 86.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.679 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 1.041 ' HB3' ' HD2' ' B' ' 320' ' ' PRO . 94.2 m95 -76.42 -177.78 0.81 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.463 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 1.041 ' HD2' ' HB3' ' B' ' 319' ' ' TRP . 53.7 Cg_exo -47.1 166.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.835 2.357 . . . . 0.0 112.03 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 11.1 pm0 -58.86 11.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.54 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.681 ' H ' ' C ' ' B' ' 320' ' ' PRO . 7.9 mtm105 -132.46 108.71 9.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.659 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' B' ' 324' ' ' ILE . 0.2 OUTLIER -179.93 159.14 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.77 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.585 HG12 ' O ' ' B' ' 184' ' ' GLU . 5.0 pt -126.52 148.31 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.423 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.403 HD23 ' N ' ' B' ' 326' ' ' VAL . 0.8 OUTLIER -93.33 135.48 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.747 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.567 HG13 ' O ' ' B' ' 326' ' ' VAL . 4.0 p -131.0 90.36 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.533 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -121.24 157.2 30.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.562 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 328' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' B' ' 351' ' ' GLY . 7.2 m-20 -64.47 -34.71 78.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -142.53 119.73 11.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.562 ' HG ' ' HB1' ' B' ' 357' ' ' ALA . 21.6 tp -71.88 116.16 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 85.9 p -114.05 133.12 55.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.512 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.65 -37.5 63.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.586 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.403 HG21 ' HB1' ' B' ' 300' ' ' ALA . 96.1 m -56.78 -46.73 81.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 97.6 m -57.27 -50.27 73.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.627 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.2 OUTLIER -54.05 -45.58 71.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.506 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -66.1 9.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' B' ' 335' ' ' LEU . 21.2 tt0 -110.32 -32.98 6.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 1.2 pp -112.74 133.74 21.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.91 135.72 43.49 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.821 2.347 . . . . 0.0 112.065 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 340' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' B' ' 340' ' ' GLN . 32.1 tp60 -73.85 -10.99 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -71.56 -39.65 70.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.523 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.535 ' NH2' ' HB1' ' B' ' 318' ' ' ALA . 7.7 mtt85 -82.84 -11.13 58.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.432 HD23 ' OE1' ' B' ' 340' ' ' GLN . 41.3 tp -83.11 102.78 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -119.06 24.75 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 345' ' ' GLY . . . . . 0.468 ' HA3' HG22 ' B' ' 324' ' ' ILE . . . 165.42 153.29 7.52 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.04 149.33 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 0.0 110.501 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 87.3 t -137.07 124.94 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 348' ' ' VAL . . . . . . . . . . . . . 3.6 t -115.56 148.61 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 349' ' ' ARG . . . . . 0.788 HH11 ' N ' ' B' ' 374' ' ' ILE . 15.3 ttm180 -115.92 -47.38 2.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.563 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.475 ' O ' ' OD1' ' B' ' 350' ' ' ASP . 59.6 t0 -107.91 -33.66 7.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' B' ' 328' ' ' ASP . . . -39.05 146.61 0.17 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -97.59 156.32 16.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 110.651 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.88 -37.5 76.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 354' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' B' ' 355' ' ' SER . 48.1 p-10 -67.67 -13.67 62.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 355' ' ' SER . . . . . 0.445 ' N ' ' OD1' ' B' ' 354' ' ' ASN . 52.9 m -54.45 134.96 46.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 356' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 19.5 pt20 -55.49 -40.31 71.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.588 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 357' ' ' ALA . . . . . 0.562 ' HB1' ' HG ' ' B' ' 330' ' ' LEU . . . -59.85 -48.74 80.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -58.81 -40.28 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.625 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 11.0 mm -71.53 -33.15 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.547 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -62.11 -51.15 69.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.489 HG23 ' N ' ' B' ' 362' ' ' ARG . 25.5 m -66.41 -43.58 91.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.501 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.489 ' N ' HG23 ' B' ' 361' ' ' VAL . 14.6 ttp180 -60.26 -44.52 95.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.27 -22.19 62.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.23 -24.9 60.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 365' ' ' GLY . . . . . 0.404 ' C ' HD12 ' B' ' 366' ' ' ILE . . . 95.6 26.47 11.86 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 366' ' ' ILE . . . . . 0.404 HD12 ' C ' ' B' ' 365' ' ' GLY . 1.5 mp -109.97 128.99 24.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.614 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.85 128.88 16.83 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.855 2.37 . . . . 0.0 112.102 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 47.0 m -143.61 138.62 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 28.7 m -136.74 148.42 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.905 ' SD ' ' HB2' ' B' ' 176' ' ' ALA . 0.1 OUTLIER -129.13 163.61 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.93 -4.33 59.07 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -53.36 111.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.55 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 373' ' ' ASP . . . . . 0.605 ' C ' HH11 ' B' ' 349' ' ' ARG . 6.2 p30 -110.81 62.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.824 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 3.9 tp -137.58 135.48 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -64.77 101.98 0.3 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 376' ' ' PRO . . . . . 0.824 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 52.6 Cg_exo -50.27 -24.01 10.91 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.746 2.297 . . . . 0.0 112.136 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 49.1 m -58.75 -39.89 82.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.78 -32.31 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.856 ' N ' HD22 ' B' ' 379' ' ' LEU . 1.3 mm? -84.18 -47.98 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.642 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.625 ' O ' ' O ' ' B' ' 185' ' ' GLY . 61.3 t-80 52.93 -69.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.589 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.729 ' N ' ' O ' ' B' ' 379' ' ' LEU . 8.8 mtm105 -146.56 25.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.582 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -72.72 174.26 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 383' ' ' THR . . . . . 0.732 ' O ' HD12 ' B' ' 384' ' ' LEU . 60.2 m -79.35 122.24 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.732 HD12 ' O ' ' B' ' 383' ' ' THR . 3.4 mp -131.11 117.32 18.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.618 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 385' ' ' ILE . . . . . 0.769 HG23 ' HB2' ' B' ' 394' ' ' LEU . 0.7 OUTLIER -108.15 122.85 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.576 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 17.2 m -102.27 153.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.558 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.641 ' O ' ' N ' ' B' ' 391' ' ' GLY . 38.5 t0 -136.08 79.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.572 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.7 -44.98 30.73 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -45.61 -53.31 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.506 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.14 8.02 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.604 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.641 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 45.71 53.49 8.51 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -118.3 153.54 33.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.431 HD23 ' N ' ' B' ' 394' ' ' LEU . 1.3 tt -130.67 118.0 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.769 ' HB2' HG23 ' B' ' 385' ' ' ILE . 2.0 mm? -102.07 143.46 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.615 ' O ' ' C ' ' B' ' 396' ' ' ASP . 28.3 m -119.38 115.52 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.559 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.615 ' C ' ' O ' ' B' ' 395' ' ' VAL . 20.5 p-10 20.39 56.9 0.22 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.589 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 55.6 Cg_endo -73.97 165.52 31.87 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.79 2.327 . . . . 0.0 112.162 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -42.82 142.91 1.3 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.89 -34.32 8.82 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.83 2.354 . . . . 0.0 112.171 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 54.9 t -78.98 -46.74 23.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.75 -41.72 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 402' ' ' LEU . . . . . 0.467 ' O ' HD23 ' B' ' 402' ' ' LEU . 8.9 tt -74.52 -22.33 59.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.49 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -69.79 -44.82 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.705 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 404' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' B' ' 408' ' ' LEU . 50.4 mm-40 -74.0 -36.67 64.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.56 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -48.99 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -65.9 -38.28 88.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -73.07 -30.95 64.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' B' ' 404' ' ' GLU . 9.8 tp -66.6 -44.43 82.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.6 -41.34 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 91.6 p -74.28 -16.85 60.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -56.03 -85.28 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.588 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 0.429 ' H ' ' H ' ' B' ' 413' ' ' ILE . 0.0 OUTLIER 175.82 2.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 0.491 HG22 ' O ' ' B' ' 413' ' ' ILE . 26.5 mm -83.21 42.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.464 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -92.16 65.82 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 1.3 mp -85.94 2.48 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 30.1 p -107.05 60.47 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.662 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 417' ' ' ARG . . . . . 0.49 ' HD2' HH21 ' B' ' 417' ' ' ARG . 41.7 mtm105 -60.46 -76.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.03 -75.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.631 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -115.35 -127.23 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -100.09 19.08 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -43.76 107.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.578 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -87.49 -82.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 25.0 m -134.3 141.53 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.42 ' H ' HG22 ' A' ' 2' ' ' THR . 1.8 t -84.94 159.01 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -133.14 119.68 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -126.84 172.85 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.555 ' CD ' HD11 ' A' ' 80' ' ' ILE . 3.9 tm0? -161.88 133.98 5.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.45 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 91.6 m -80.04 127.76 32.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.5 HG13 HG13 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -128.71 124.35 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.461 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -80.71 126.4 31.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.5 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.438 HD11 HD13 ' A' ' 63' ' ' ILE . 75.7 mt -89.64 105.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.696 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.6 OUTLIER -84.4 61.08 6.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 m120 59.86 25.21 14.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.645 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.58 102.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.5 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 0.4 OUTLIER -66.32 -4.59 8.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.587 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 15' ' ' MET . . . 147.75 124.32 1.46 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.803 ' O ' ' N ' ' A' ' 17' ' ' ALA . 6.7 mtt -29.8 149.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -52.39 63.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.803 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -110.11 -3.62 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.79 ' N ' ' HD3' ' A' ' 19' ' ' PRO . 3.1 mtp180 78.82 36.47 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.517 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.79 ' HD3' ' N ' ' A' ' 18' ' ' ARG . 60.1 Cg_exo -46.8 -55.69 3.63 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.822 2.348 . . . . 0.0 112.025 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.536 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -57.31 -47.45 81.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.522 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.4 -42.72 95.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.28 -38.27 86.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.518 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.9 -46.78 52.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.389 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -55.68 -40.25 72.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -71.96 -36.47 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' A' ' 30' ' ' PHE . 92.1 mt -66.51 -42.14 87.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 38.4 ttm -55.54 -31.11 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.484 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -33.19 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.63 -33.56 34.05 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' A' ' 26' ' ' LEU . 22.6 m-85 -103.53 155.67 18.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.611 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -99.62 92.68 5.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 170.88 157.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -102.3 126.76 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.13 134.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mp -135.84 139.25 43.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.505 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 6.0 mt -109.08 149.72 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.581 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -148.08 133.4 18.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.524 ' HA ' HG22 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -89.97 157.87 17.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' OD2' ' NE2' ' A' ' 62' ' ' GLN . 54.7 t0 -53.86 -28.5 36.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 47.9 mt-10 -66.95 -11.14 55.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.64 11.28 59.46 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 p -83.99 116.74 22.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.903 0.382 . . . . 0.0 110.486 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.77 102.61 7.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.646 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -88.97 66.43 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.564 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -41.45 121.55 1.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.528 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -10.21 12.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -100.22 29.23 4.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.74 122.9 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.35 -35.74 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.583 HD12 ' CE2' ' B' ' 283' ' ' PHE . 2.7 tt -61.64 -36.76 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.605 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.646 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.39 -42.07 88.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.713 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.536 HD22 ' HB1' ' A' ' 20' ' ' ALA . 95.7 mt -58.79 -37.85 77.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.673 HD13 HD12 ' B' ' 291' ' ' LEU . 87.3 mt -65.6 -36.54 84.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.61 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.4 mtm -67.61 -37.27 82.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.1 tt -62.04 -36.06 80.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -52.69 -35.49 55.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.7 p -75.99 -6.56 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.47 29.67 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 97.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.62 5.8 38.83 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.543 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 85.4 mtt180 -106.21 165.78 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.718 0.294 . . . . 0.0 110.58 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.562 ' NE2' ' OD2' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -99.07 143.05 29.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.547 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 38' ' ' ASN . 42.3 pt -130.94 161.89 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.559 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mp0 -123.5 101.52 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.74 127.57 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.505 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -119.68 138.18 53.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.88 130.38 29.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.485 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.464 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 2.6 t -124.0 129.09 50.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.33 162.59 9.29 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -48.02 -44.88 26.77 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.798 2.332 . . . . 0.0 112.141 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLU . 1.1 mm100 -93.85 6.24 49.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.543 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 13.9 pt-20 -37.7 -37.79 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.531 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 3.2 pt-20 -64.26 -48.86 74.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.597 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.531 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 14.5 mm-40 -57.7 -51.09 70.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.41 -48.99 75.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.634 ' C ' HD23 ' A' ' 76' ' ' LEU . 9.7 tt -64.44 -45.0 89.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.66 99.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.454 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.62 98.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.36 -44.07 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.555 HD11 ' CD ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -63.29 -41.84 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.462 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.5 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.28 -36.55 84.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.426 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.71 -37.48 67.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.435 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 13' ' ' LEU . 4.1 m-85 -70.0 -31.91 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.698 ' O ' ' HB2' ' A' ' 85' ' ' SER . 3.1 m-80 -82.31 -4.03 56.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.698 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 26.7 m . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 170' ' ' ARG . . . . . 0.831 ' C ' HD12 ' B' ' 171' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 171' ' ' ILE . . . . . 0.831 HD12 ' C ' ' B' ' 170' ' ' ARG . 2.0 mp -131.94 140.95 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.563 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -91.56 108.6 20.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -103.4 158.42 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.512 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.593 ' N ' ' O ' ' B' ' 370' ' ' MET . 49.0 mt -68.49 117.65 52.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.38 104.11 1.74 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.648 2.232 . . . . 0.0 112.217 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 176' ' ' ALA . . . . . 0.501 ' O ' ' NH2' ' B' ' 362' ' ' ARG . . . -82.14 -39.81 22.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.599 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.573 ' O ' ' HA3' ' B' ' 388' ' ' GLY . . . -134.67 132.72 20.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.45 138.54 32.83 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.841 2.361 . . . . 0.0 112.106 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 179' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 139.06 168.92 11.41 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 76.5 t -121.52 137.53 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.509 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -141.67 142.17 33.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 7.6 tt -126.54 128.75 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.735 ' HB3' HG23 ' B' ' 324' ' ' ILE . . . 179.79 170.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.601 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 184' ' ' GLU . . . . . 0.644 ' O ' HG12 ' B' ' 324' ' ' ILE . 92.1 mt-10 -78.16 169.65 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.482 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.775 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -90.31 97.72 2.36 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -105.5 122.15 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.71 115.8 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.483 ' OD2' ' OE1' ' B' ' 337' ' ' GLU . 63.2 t0 -91.05 70.82 6.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.531 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -103.35 22.52 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.657 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 190' ' ' THR . . . . . 0.422 ' O ' HG23 ' B' ' 190' ' ' THR . 8.8 t -38.12 128.99 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.579 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 191' ' ' LEU . . . . . 0.463 HD23 ' HD2' ' B' ' 192' ' ' PRO . 0.7 OUTLIER -137.03 106.29 8.78 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.463 ' HD2' HD23 ' B' ' 191' ' ' LEU . 51.2 Cg_exo -49.31 136.78 31.51 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.806 2.338 . . . . 0.0 112.052 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.46 -15.24 48.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.649 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 9.6 mmt -63.9 -6.14 5.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.633 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -107.35 -7.59 16.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 196' ' ' GLN . . . . . 0.443 ' N ' ' OE1' ' B' ' 196' ' ' GLN . 0.7 OUTLIER -103.41 -31.32 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.559 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 197' ' ' VAL . . . . . . . . . . . . . 11.1 p -126.06 140.07 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.574 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -77.31 177.45 7.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 199' ' ' GLN . . . . . 0.45 ' OE1' ' CE3' ' B' ' 270' ' ' TRP . 6.7 pt20 -137.54 170.38 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -55.98 -165.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 31.2 t -142.24 110.81 6.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.36 113.77 7.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.505 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 0.591 HD12 ' H ' ' B' ' 204' ' ' ASP . 11.0 tp -68.24 129.12 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.591 ' H ' HD12 ' B' ' 203' ' ' LEU . 73.9 m-20 -152.55 93.6 3.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.583 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.511 ' O ' ' NE ' ' B' ' 209' ' ' ARG . 39.1 Cg_endo -70.32 -20.5 32.12 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.803 2.336 . . . . 0.0 112.111 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 206' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -79.57 -41.76 26.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 207' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 211' ' ' ARG . 35.8 mt -85.93 -36.36 19.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.663 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 0.0 OUTLIER -65.43 -52.79 50.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.541 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 209' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' B' ' 205' ' ' PRO . 6.9 ptp180 -60.36 -41.19 93.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.477 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 210' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' B' ' 206' ' ' ALA . 3.4 mm-40 -75.62 -34.03 60.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.642 ' NH2' ' OE2' ' B' ' 269' ' ' GLU . 11.2 mtt180 -56.53 -52.62 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.568 ' HB3' ' NH2' ' B' ' 255' ' ' ARG . 0.2 OUTLIER -71.33 -53.79 12.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.331 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 213' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' B' ' 255' ' ' ARG . 81.9 m -50.45 -53.0 32.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.26 -34.37 84.29 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.25 67.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.799 0.333 . . . . 0.0 110.398 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.744 ' O ' ' N ' ' B' ' 220' ' ' ALA . 2.1 tp -54.86 -50.17 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.447 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 71.9 mm-40 -49.76 -37.0 27.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.331 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -80.88 -32.01 35.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.73 -51.99 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.339 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.744 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.84 -51.54 67.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.396 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.6 ' O ' ' NE ' ' B' ' 225' ' ' ARG . 90.3 m-20 -64.32 -33.79 76.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.321 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.693 ' N ' HH11 ' B' ' 225' ' ' ARG . 3.6 tm-20 -70.74 -39.5 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.416 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 223' ' ' PHE . . . . . 0.437 ' CZ ' ' CD2' ' B' ' 301' ' ' LEU . 2.9 m-85 -64.65 -47.83 77.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.454 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 224' ' ' ARG . . . . . 0.42 ' HD2' HH21 ' B' ' 224' ' ' ARG . 14.3 mtm180 -60.96 -40.82 94.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 225' ' ' ARG . . . . . 0.693 HH11 ' N ' ' B' ' 222' ' ' GLU . 81.4 mtm180 -68.53 -30.99 69.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.436 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.7 ' OH ' ' O ' ' B' ' 336' ' ' ALA . 0.3 OUTLIER -63.44 -55.89 20.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 9.2 p -49.99 -44.38 50.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -60.87 -39.75 90.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 229' ' ' ARG . . . . . 0.464 ' NH1' ' CE1' ' B' ' 226' ' ' TYR . 31.5 ttp-105 -69.67 -39.6 76.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.63 -43.12 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.508 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.65 -36.48 67.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.07 71.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.526 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -93.27 26.76 13.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . 51.51 77.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.498 ' HB3' ' OG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -143.15 92.63 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 236' ' ' LYS . . . . . 0.453 ' H ' ' HD2' ' B' ' 236' ' ' LYS . 1.0 OUTLIER -70.98 -42.32 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.587 ' OE1' ' N ' ' B' ' 238' ' ' THR . 16.3 tm-20 -50.58 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.587 ' N ' ' OE1' ' B' ' 237' ' ' GLU . 3.0 p -46.85 -59.09 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -48.63 -50.53 32.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.48 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.32 88.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.583 HG22 ' N ' ' B' ' 242' ' ' PHE . 1.3 mp -68.07 -54.91 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.583 ' N ' HG22 ' B' ' 241' ' ' ILE . 11.3 m-85 -58.66 -53.86 53.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.572 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -43.5 -41.99 4.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.433 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.91 -38.76 79.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.483 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.544 ' OH ' ' HB2' ' B' ' 297' ' ' ASP . 10.6 m-85 -70.73 -42.27 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.18 -46.68 35.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.569 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.464 ' O ' ' ND1' ' B' ' 247' ' ' HIS . 0.0 OUTLIER -73.41 -26.55 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.829 HD23 ' N ' ' B' ' 249' ' ' LEU . 0.6 OUTLIER -69.99 -40.18 75.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.842 HD11 HD11 ' B' ' 301' ' ' LEU . 2.8 mt -72.13 -38.02 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 60.2 p -76.09 -17.8 59.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.721 ' OD1' ' N ' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -44.53 116.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 13.6 t -57.24 0.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.476 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.721 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 7.2 ttt180 -86.58 -40.84 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 254' ' ' LEU . . . . . 0.701 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 4.7 mp -77.46 -38.03 50.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.568 ' NH2' ' HB3' ' B' ' 212' ' ' LEU . 14.3 tpt180 -63.09 -50.94 68.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -60.34 -46.57 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 0.6 OUTLIER -51.35 -50.76 58.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.497 HD22 HD23 ' B' ' 212' ' ' LEU . 0.1 OUTLIER -54.44 -63.55 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.638 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 259' ' ' PHE . . . . . 0.523 ' O ' HG22 ' B' ' 262' ' ' VAL . 3.2 t80 -53.65 -25.61 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 260' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -72.72 -40.17 66.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.37 -49.43 77.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 262' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 259' ' ' PHE . 2.8 m -65.29 -34.4 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.597 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.29 -15.98 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -92.77 -17.13 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.36 20.38 2.44 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 266' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' B' ' 262' ' ' VAL . 6.2 m -103.57 157.08 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.548 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 8.2 t -91.1 141.68 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.448 ' O ' HG12 ' B' ' 272' ' ' VAL . . . -54.57 -36.64 64.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.642 ' OE2' ' NH2' ' B' ' 211' ' ' ARG . 1.1 mp0 -54.47 -47.26 73.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 270' ' ' TRP . . . . . 0.45 ' CE3' ' OE1' ' B' ' 199' ' ' GLN . 1.1 m-90 -83.58 -31.8 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.619 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.787 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -59.83 -49.4 77.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.639 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.448 HG12 ' O ' ' B' ' 268' ' ' ALA . 13.6 p -65.44 -31.21 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.755 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 38.1 ttpt -80.25 -44.88 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.1 m -64.39 -51.66 62.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.863 HG23 ' N ' ' B' ' 276' ' ' ILE . 21.4 m -58.24 -63.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.511 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.863 ' N ' HG23 ' B' ' 275' ' ' VAL . 7.2 tp -47.91 -41.42 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.622 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.755 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 0.4 OUTLIER -74.1 -40.59 62.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.528 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -63.01 -35.13 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.591 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 279' ' ' PHE . . . . . 0.498 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 35.9 m-85 -82.92 -12.58 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -76.79 -44.81 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.629 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.476 ' CD ' ' O ' ' B' ' 277' ' ' GLU . 3.2 pm0 -85.72 -28.87 24.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -53.52 -51.47 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.499 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.611 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 0.7 OUTLIER -77.83 -42.99 31.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.603 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -41.25 -33.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -51.61 -17.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 286' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.7 172.82 9.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 89.4 p -108.61 -24.16 11.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -43.73 115.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -54.92 -53.07 60.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.26 -28.31 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.413 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.673 HD12 HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -74.72 -56.62 4.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.499 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 291' ' ' LEU . 8.6 mmtp -38.54 -47.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.395 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.11 -46.21 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.316 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.423 ' HD2' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -60.48 -39.33 87.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.218 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 295' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' B' ' 298' ' ' LEU . . . -58.46 -46.98 85.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.269 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -53.2 -40.19 59.46 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.544 ' HB2' ' OH ' ' B' ' 245' ' ' TYR . 0.2 OUTLIER -65.39 -38.11 89.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.242 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 298' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 295' ' ' ALA . 4.2 mt -54.0 -50.96 65.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.315 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 299' ' ' ARG . . . . . 0.757 ' HG3' ' N ' ' B' ' 300' ' ' ALA . 0.1 OUTLIER -54.4 -37.34 64.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.225 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.757 ' N ' ' HG3' ' B' ' 299' ' ' ARG . . . -67.9 -38.6 83.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.207 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.842 HD11 HD11 ' B' ' 249' ' ' LEU . 1.8 tm? -50.47 -42.93 55.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.267 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -64.71 -40.2 97.26 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -43.99 89.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.366 . . . . 0.0 110.248 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.484 ' O ' ' CD2' ' B' ' 308' ' ' HIS . 0.0 OUTLIER -71.64 -36.66 70.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.235 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 305' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' B' ' 305' ' ' LEU . 0.1 OUTLIER -69.27 -39.44 78.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 179.748 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 306' ' ' LEU . . . . . 0.613 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.5 OUTLIER -56.94 -40.32 76.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.383 179.738 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 307' ' ' PHE . . . . . 0.574 ' O ' ' HB2' ' B' ' 313' ' ' ASN . 0.1 OUTLIER -70.42 -41.61 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.523 ' ND1' ' ND2' ' B' ' 313' ' ' ASN . 82.3 m-70 -66.39 -33.13 75.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.451 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' B' ' 309' ' ' LEU . 8.2 tp -61.59 -9.12 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.499 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.613 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 6.4 m-20 -107.12 115.19 29.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -51.85 -6.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.579 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' B' ' 310' ' ' ASP . . . -82.1 -12.46 58.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.699 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' B' ' 307' ' ' PHE . 57.6 t30 -80.05 124.93 29.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -84.91 -66.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 157.01 -74.26 0.22 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 316' ' ' PRO . . . . . 0.445 ' O ' ' O ' ' B' ' 317' ' ' ASN . 49.6 Cg_endo -72.72 -32.97 8.76 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.801 2.334 . . . . 0.0 112.095 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 317' ' ' ASN . . . . . 0.445 ' O ' ' O ' ' B' ' 316' ' ' PRO . 0.8 OUTLIER 59.59 137.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -76.34 84.42 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.617 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.878 ' HB3' ' HD2' ' B' ' 320' ' ' PRO . 77.2 m95 -71.63 171.14 9.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 0.878 ' HD2' ' HB3' ' B' ' 319' ' ' TRP . 42.0 Cg_endo -71.29 -179.59 3.71 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.76 2.306 . . . . 0.0 112.103 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 321' ' ' GLU . . . . . 0.488 ' O ' ' HD3' ' B' ' 342' ' ' ARG . 50.0 mp0 -83.0 -60.24 2.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.596 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.893 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 84.2 mtt180 -147.94 137.54 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.528 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.893 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 27.9 m-85 -174.81 167.18 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.735 HG23 ' HB3' ' B' ' 183' ' ' ALA . 7.3 pt -101.39 147.11 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.577 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.468 HD12 HD11 ' B' ' 343' ' ' LEU . 0.4 OUTLIER -81.97 110.72 17.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.2 97.99 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -134.52 149.13 50.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.484 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.83 -27.97 68.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -151.49 123.33 8.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.591 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.606 HD11 HG11 ' B' ' 346' ' ' VAL . 2.4 mt -57.93 131.59 50.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.619 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 4.1 m -130.78 123.59 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.568 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.03 -39.53 66.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.674 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.66 HG21 ' HB1' ' B' ' 300' ' ' ALA . 61.9 m -58.65 -43.31 89.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 60.7 m -60.7 -50.27 74.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 5.2 mp -49.73 -43.64 47.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 336' ' ' ALA . . . . . 0.7 ' O ' ' OH ' ' B' ' 226' ' ' TYR . . . -64.11 -24.82 67.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.483 ' OE1' ' OD2' ' B' ' 188' ' ' ASP . 28.9 tt0 -67.75 -35.92 79.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.589 HD11 ' CZ3' ' B' ' 319' ' ' TRP . 7.3 mp -115.76 126.12 28.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -48.19 143.67 14.13 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.839 2.359 . . . . 0.0 112.112 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -67.39 -7.5 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.493 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.21 -38.84 42.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.657 ' HE ' ' HA ' ' B' ' 342' ' ' ARG . 9.2 mmp_? -78.72 -24.82 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.468 HD11 HD12 ' B' ' 325' ' ' LEU . 2.0 mm? -69.16 113.32 6.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.51 ' O ' HG12 ' B' ' 344' ' ' VAL . 6.1 t -122.72 19.61 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.582 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 345' ' ' GLY . . . . . 0.577 ' HA3' HG22 ' B' ' 324' ' ' ILE . . . 159.61 163.95 14.12 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.606 HG11 HD11 ' B' ' 330' ' ' LEU . 48.9 t -148.05 151.23 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.509 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 347' ' ' VAL . . . . . 0.474 HG22 ' O ' ' B' ' 347' ' ' VAL . 0.2 OUTLIER -146.29 125.52 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.54 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.49 HG11 ' O ' ' B' ' 351' ' ' GLY . 89.2 t -109.18 148.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -86.18 -54.85 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.654 ' O ' ' N ' ' B' ' 352' ' ' ALA . 0.0 OUTLIER -135.99 -19.03 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . -53.54 74.34 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 352' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -34.36 157.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.51 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.806 ' HB1' HH12 ' B' ' 362' ' ' ARG . . . -61.93 -6.12 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -54.02 -33.57 57.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.57 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 51.9 m -51.46 141.25 16.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -58.91 -37.72 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.624 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.87 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.54 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.533 HD13 HH11 ' B' ' 362' ' ' ARG . 38.4 mm -64.86 -31.68 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.65 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 37.8 tpp -86.39 -25.03 25.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.622 ' CG1' ' N ' ' B' ' 362' ' ' ARG . 0.4 OUTLIER -65.85 -48.38 82.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.501 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.806 HH12 ' HB1' ' B' ' 353' ' ' ALA . 3.7 ptp180 -68.51 -36.32 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.527 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.432 ' N ' ' CG ' ' B' ' 362' ' ' ARG . . . -68.45 -24.13 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 5.4 tp -79.72 -21.57 44.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.53 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 91.7 37.98 5.96 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 3.4 mm -118.81 117.39 33.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 110.567 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -47.93 135.01 23.58 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.817 2.345 . . . . 0.0 112.13 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 87.3 m -154.51 145.87 23.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.565 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 369' ' ' VAL . . . . . 0.445 ' C ' ' SD ' ' B' ' 370' ' ' MET . 27.4 m -135.15 154.57 36.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.593 ' O ' ' N ' ' B' ' 174' ' ' LEU . 1.2 mmm -132.53 163.87 27.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.672 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 95.21 -2.64 65.84 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.7 112.79 0.9 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.775 0.321 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.04 31.7 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.536 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 5.8 tt -109.56 143.95 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.631 ' H ' ' CD ' ' B' ' 375' ' ' GLN . 20.1 mp0 -71.39 109.8 6.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.602 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 376' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 50.1 Cg_exo -48.74 -35.01 29.24 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.78 2.32 . . . . 0.0 112.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 60.6 m -53.08 -39.22 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 86.7 t -69.11 -36.87 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.778 HD13 HD22 ' B' ' 384' ' ' LEU . 55.9 mt -71.06 -27.2 63.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.775 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER -0.8 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.562 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.451 ' H ' ' HB3' ' B' ' 380' ' ' HIS . 2.7 ptp180 -93.07 -2.13 55.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 382' ' ' ARG . . . . . 0.82 HH22 ' CG ' ' B' ' 396' ' ' ASP . 1.3 ttp85 -63.95 159.03 20.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 383' ' ' THR . . . . . 0.551 ' O ' ' NH1' ' B' ' 382' ' ' ARG . 1.2 p -86.17 131.38 34.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.778 HD22 HD13 ' B' ' 379' ' ' LEU . 27.2 tp -140.62 117.85 11.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.506 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 63.9 mt -101.06 120.13 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 5.9 m -109.57 135.45 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.618 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.2 t0 -121.33 95.44 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 388' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -53.24 -40.16 59.71 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -48.65 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.831 0.348 . . . . 0.0 110.523 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 390' ' ' ARG . . . . . 0.405 ' CZ ' ' OD2' ' B' ' 387' ' ' ASP . 91.1 mtm-85 -90.99 -7.54 51.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 47.94 62.21 4.33 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -152.4 167.38 28.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.34 125.46 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 2.5 mp -98.86 144.87 27.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.526 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.679 ' O ' ' C ' ' B' ' 396' ' ' ASP . 85.6 t -112.55 101.76 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.82 ' CG ' HH22 ' B' ' 382' ' ' ARG . 10.4 p-10 -7.75 77.54 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.657 ' N ' ' O ' ' B' ' 395' ' ' VAL . 47.4 Cg_endo -72.39 -144.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.787 2.325 . . . . 0.0 112.085 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 398' ' ' GLU . . . . . 0.476 ' H ' ' HB2' ' B' ' 397' ' ' PRO . 76.8 mm-40 -70.69 133.87 86.43 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.48 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -47.27 -29.6 9.7 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.853 2.369 . . . . 0.0 112.124 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 22.0 t -79.7 -47.37 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 401' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 401' ' ' LEU . 42.8 mt -58.31 -48.38 80.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -34.69 78.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.484 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -64.07 -50.64 67.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.56 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 404' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' B' ' 407' ' ' ARG . 3.8 tp10 -68.26 -44.77 74.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 405' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 404' ' ' GLU . 0.2 OUTLIER -39.28 -48.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.565 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -37.03 85.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' B' ' 404' ' ' GLU . 11.7 mtm180 -73.7 -33.34 64.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.56 -46.69 81.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.96 -39.16 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 93.5 p -74.98 -17.52 60.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.576 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.87 -100.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 1.127 ' O ' ' N ' ' B' ' 414' ' ' GLU . 63.9 tt0 -87.3 -93.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.678 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 0.81 HG22 ' O ' ' B' ' 413' ' ' ILE . 2.7 mp -22.06 60.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.61 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 1.127 ' N ' ' O ' ' B' ' 412' ' ' GLU . 3.2 mm-40 -71.46 -153.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 415' ' ' LEU . . . . . 0.476 ' H ' ' HB3' ' B' ' 414' ' ' GLU . 1.1 mt -81.54 -62.16 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 13.5 t -98.52 55.49 1.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.501 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -121.8 30.04 6.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 84.6 mt 54.9 71.33 0.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.606 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -88.09 153.87 20.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -135.88 -73.5 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.648 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 421' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' B' ' 422' ' ' ASP . 64.5 t0 -170.13 -111.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.617 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' B' ' 423' ' ' VAL . 60.7 m-20 -97.61 -133.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 423' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' B' ' 422' ' ' ASP . 12.6 m 28.75 -124.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.52 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.529 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.423 ' H ' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER -83.73 160.1 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.9 t -134.18 119.77 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -126.6 173.55 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.951 ' NE2' HD12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -160.82 136.58 8.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.502 HG23 ' OE1' ' A' ' 62' ' ' GLN . 85.7 m -83.92 124.09 30.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.667 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.3 t -125.01 126.71 71.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.46 124.72 30.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.0 mt -87.51 106.01 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 40.6 p -83.83 55.65 3.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' THR . 71.3 m-80 66.01 19.16 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.487 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' HZ2' ' HA ' ' A' ' 15' ' ' MET . 2.2 tptp -160.37 102.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.583 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.668 HD23 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -67.45 0.96 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.56 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.632 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 116.53 32.19 1.66 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.69 ' SD ' ' HD2' ' A' ' 18' ' ' ARG . 16.9 ttt 91.93 1.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.602 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 1.088 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 11.2 p80 40.11 -179.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 21' ' ' MET . . . 52.03 -74.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.69 ' HD2' ' SD ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -49.65 -56.76 14.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.558 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.088 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 29.7 Cg_endo -66.3 -45.32 5.54 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.72 2.28 . . . . 0.0 112.076 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.594 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -68.82 -37.8 79.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.59 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' ALA . 2.0 tmt? -74.58 -39.45 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.596 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 19.4 mmtp -62.16 -36.5 82.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.564 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD13 HG23 ' A' ' 79' ' ' VAL . 13.5 tp -50.61 -45.0 57.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.647 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.585 ' N ' ' CD2' ' A' ' 24' ' ' PHE . 1.8 m-30 -57.95 -37.08 73.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -76.49 -32.6 58.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.813 HD12 ' CE1' ' A' ' 30' ' ' PHE . 3.4 mm? -69.49 -41.44 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.528 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.3 mtp -56.93 -33.16 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 24' ' ' PHE . 7.2 mm100 -78.59 -36.35 44.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.9 -29.74 50.36 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.813 ' CE1' HD12 ' A' ' 26' ' ' LEU . 16.6 m-85 -107.67 150.45 26.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.549 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 70.4 m-20 -95.15 97.26 9.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.549 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 164.94 154.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.552 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -99.38 130.63 45.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.585 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.3 t -107.97 134.34 50.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.439 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.31 137.81 41.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.2 mp -108.24 150.87 26.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.397 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.552 ' NE ' ' OE2' ' A' ' 43' ' ' GLU . 11.5 mtp180 -146.35 135.41 22.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -92.09 153.62 19.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -50.79 -28.59 9.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -67.77 -10.9 56.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.47 11.75 59.16 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.9 m -84.29 117.24 23.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.655 0.264 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.552 ' OE2' ' NE ' ' A' ' 37' ' ' ARG . 55.1 mm-40 -78.21 103.29 8.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.494 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.645 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.47 65.25 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -41.03 121.63 1.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.538 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.599 ' HB1' HD23 ' A' ' 23' ' ' LEU . . . -63.3 -9.33 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -99.91 27.4 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -146.05 123.86 11.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.605 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.3 m -63.89 -35.49 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.004 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -61.78 -35.88 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.58 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.645 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.53 -42.03 87.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.471 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.84 -39.5 81.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.569 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.004 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 1.8 pp -64.46 -35.94 82.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.722 ' N ' HD12 ' A' ' 53' ' ' LEU . 1.1 tmm? -68.52 -35.96 78.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 9.4 mt -64.52 -35.24 80.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.574 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -52.81 -34.68 54.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 t -76.91 -6.5 52.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.93 28.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.603 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -68.43 97.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.487 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.08 6.22 39.84 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.73 164.32 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.502 ' OE1' HG23 ' A' ' 6' ' ' THR . 1.2 tm0? -97.25 143.42 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.657 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.895 HD13 ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -131.13 160.84 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.494 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.617 ' N ' HG12 ' A' ' 63' ' ' ILE . 57.4 mp0 -122.89 101.01 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.854 HG23 HD11 ' A' ' 63' ' ' ILE . 21.7 t -80.93 127.9 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.49 139.04 53.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.71 130.57 30.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.63 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.463 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 63.7 m -123.67 128.84 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.532 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.546 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.51 161.0 8.58 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -46.54 -45.54 19.26 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.864 2.376 . . . . 0.0 112.156 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.58 ' NE2' ' HB2' ' A' ' 31' ' ' ASP . 5.2 mt-30 -93.07 4.89 53.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.448 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.546 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 9.5 pt-20 -35.79 -38.47 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 81.3 mt-10 -63.81 -48.37 77.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.8 mp0 -58.1 -50.19 74.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.35 -48.06 79.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.835 HD21 ' NE2' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -65.62 -43.86 88.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.536 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 80' ' ' ILE . . . -62.55 -42.31 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.19 99.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.533 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.647 HG11 HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -66.91 -41.89 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.951 HD12 ' NE2' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -65.41 -40.88 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.507 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.502 ' N ' ' CG2' ' A' ' 80' ' ' ILE . . . -63.85 -36.37 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.477 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.8 mt -73.66 -36.91 65.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.505 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.2 m-85 -69.31 -33.05 72.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.627 ' O ' ' HB2' ' A' ' 85' ' ' SER . 3.3 m120 -81.2 -8.77 59.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.626 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.627 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 29.2 m . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.606 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 170' ' ' ARG . . . . . 0.481 HH22 HD23 ' B' ' 401' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 171' ' ' ILE . . . . . 0.47 ' C ' ' OE2' ' B' ' 392' ' ' GLU . 50.2 mm -120.85 131.58 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -80.29 122.24 26.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.48 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -121.91 160.5 24.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.765 ' N ' HD22 ' B' ' 174' ' ' LEU . 2.8 mm? -83.25 112.13 36.45 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.491 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.07 119.71 6.35 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.758 2.305 . . . . 0.0 112.127 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 176' ' ' ALA . . . . . 0.427 ' HB1' ' CZ ' ' B' ' 362' ' ' ARG . . . -93.26 -42.51 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.445 ' HB2' ' HG2' ' B' ' 362' ' ' ARG . . . -133.2 111.09 12.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.4 155.74 1.17 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.772 2.314 . . . . 0.0 112.191 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 125.95 160.95 10.81 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 180' ' ' VAL . . . . . 0.417 ' O ' HG13 ' B' ' 180' ' ' VAL . 14.6 p -118.14 132.3 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.373 . . . . 0.0 110.584 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 181' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' B' ' 344' ' ' VAL . . . -136.05 135.15 39.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 11.9 pt -124.62 132.99 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.526 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.424 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 178.76 173.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 184' ' ' GLU . . . . . 0.405 ' HB2' ' CE2' ' B' ' 323' ' ' PHE . 42.0 mt-10 -79.77 158.92 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 185' ' ' GLY . . . . . . . . . . . . . . . -89.86 128.24 9.12 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 186' ' ' TRP . . . . . 0.465 ' O ' HG22 ' B' ' 326' ' ' VAL . 10.0 t90 -122.23 133.75 54.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 0.0 110.539 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 187' ' ' GLN . . . . . 0.701 ' NE2' ' O ' ' B' ' 326' ' ' VAL . 11.2 tp-100 -116.43 119.1 34.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -58.63 132.62 54.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.532 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.51 ' O ' ' HG ' ' B' ' 191' ' ' LEU . . . -80.44 9.98 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.637 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 190' ' ' THR . . . . . 0.447 ' C ' ' O ' ' B' ' 189' ' ' ALA . 38.6 m -36.78 114.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 191' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' B' ' 189' ' ' ALA . 57.9 mt -101.38 147.17 33.42 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.724 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.462 ' C ' ' N ' ' B' ' 194' ' ' MET . 49.6 Cg_endo -72.53 68.95 3.54 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.931 2.421 . . . . 0.0 112.058 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.05 -14.87 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.654 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 194' ' ' MET . . . . . 0.533 ' N ' ' SD ' ' B' ' 194' ' ' MET . 0.0 OUTLIER -68.55 -45.36 72.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.668 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -100.2 -6.95 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.659 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -92.17 -13.49 30.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.425 ' O ' ' CD1' ' B' ' 198' ' ' TYR . 6.1 p -49.96 149.31 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.563 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 198' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' B' ' 197' ' ' VAL . 0.3 OUTLIER -173.39 103.08 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.575 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -140.08 169.36 17.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -73.31 -170.54 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 89.2 p -116.79 83.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.498 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.43 115.09 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.639 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 0.425 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 0.5 OUTLIER -83.92 131.01 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.486 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.807 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 73.4 m-20 -149.87 93.74 3.91 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.654 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.54 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 35.5 Cg_endo -68.07 -26.99 36.36 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.791 2.327 . . . . 0.0 112.032 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -74.14 -44.63 52.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.463 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 207' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' B' ' 211' ' ' ARG . 9.7 mp -82.36 -37.21 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.807 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 77.2 mm-40 -69.7 -50.06 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.452 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 209' ' ' ARG . . . . . 0.551 ' NH2' ' CZ ' ' B' ' 259' ' ' PHE . 48.2 tpt85 -55.25 -47.57 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.388 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.05 -39.99 75.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.639 ' NH1' ' OE2' ' B' ' 269' ' ' GLU . 29.5 mtp180 -53.79 -42.16 68.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.371 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' B' ' 212' ' ' LEU . 2.3 mm? -65.28 -48.56 72.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.434 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 34.2 m -53.92 -49.02 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.389 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.33 -34.61 90.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.32 -42.18 65.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.737 0.303 . . . . 0.0 110.451 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.493 HD22 ' CZ ' ' B' ' 255' ' ' ARG . 3.9 tp -58.74 -49.14 78.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.464 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -51.84 -35.01 43.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -77.48 -34.26 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -82.47 -48.12 11.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.481 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.4 93.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.515 ' O ' ' HD3' ' B' ' 225' ' ' ARG . 98.1 m-20 -68.8 -31.27 70.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.514 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.679 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.2 OUTLIER -64.03 -37.86 88.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 223' ' ' PHE . . . . . 0.681 ' CD1' ' OG ' ' B' ' 246' ' ' SER . 0.0 OUTLIER -71.36 -49.92 37.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 224' ' ' ARG . . . . . 0.622 ' N ' ' CG ' ' B' ' 223' ' ' PHE . 4.4 ttm180 -51.18 -42.56 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.465 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 225' ' ' ARG . . . . . 0.724 ' O ' ' HG2' ' B' ' 229' ' ' ARG . 40.9 mtp180 -76.17 -31.28 58.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.49 ' HA ' ' HE ' ' B' ' 229' ' ' ARG . 0.2 OUTLIER -64.6 -69.93 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.472 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 87.6 p -52.75 -36.52 57.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.508 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -53.1 -54.0 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 229' ' ' ARG . . . . . 0.724 ' HG2' ' O ' ' B' ' 225' ' ' ARG . 9.9 ptt180 -74.01 -45.68 48.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.606 ' O ' ' N ' ' B' ' 234' ' ' ALA . 1.3 m-85 -52.45 -56.78 12.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -53.2 -34.11 55.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.469 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 232' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 229' ' ' ARG . . . -63.74 -26.46 68.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 233' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -121.61 -63.93 0.23 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.606 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -52.17 -172.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.577 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.584 ' O ' ' OG1' ' B' ' 238' ' ' THR . 4.7 pt20 -91.52 161.12 15.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -34.4 57.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.49 -58.42 5.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.584 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 6.5 p -41.32 -63.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -52.97 -45.33 67.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.624 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.419 ' HB2' HH22 ' A' ' 18' ' ' ARG . . . -53.91 -40.55 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.635 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.576 HG22 ' N ' ' B' ' 242' ' ' PHE . 1.0 OUTLIER -65.42 -60.29 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.604 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.576 ' N ' HG22 ' B' ' 241' ' ' ILE . 1.7 m-85 -58.17 -53.89 53.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.04 -44.8 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 0.723 HD23 ' NH2' ' B' ' 294' ' ' ARG . 21.5 tp -69.3 -41.34 76.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.565 ' O ' ' N ' ' B' ' 248' ' ' LEU . 0.5 OUTLIER -70.81 -41.4 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 246' ' ' SER . . . . . 0.681 ' OG ' ' CD1' ' B' ' 223' ' ' PHE . 44.1 m -43.81 -42.14 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.582 ' HA ' ' OG ' ' B' ' 250' ' ' SER . 2.2 t-80 -75.42 -10.79 59.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.848 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 6.2 tt -70.53 -47.15 61.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.538 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.817 ' HG ' ' N ' ' B' ' 250' ' ' SER . 0.7 OUTLIER -85.71 -37.16 19.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 250' ' ' SER . . . . . 0.817 ' N ' ' HG ' ' B' ' 249' ' ' LEU . 54.0 p -64.14 -31.93 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.849 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 10.1 p30 -54.82 117.59 3.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 252' ' ' THR . . . . . 0.423 ' H ' HG22 ' B' ' 252' ' ' THR . 0.6 OUTLIER -53.25 -6.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.621 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' B' ' 251' ' ' ASP . 14.1 ttp-105 -68.52 -58.73 3.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.659 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -47.68 82.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.561 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.493 ' CZ ' HD22 ' B' ' 216' ' ' LEU . 3.3 ttm180 -59.51 -46.04 89.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.698 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -54.98 -42.18 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 3.2 tt0 -63.4 -45.36 91.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.68 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.749 HD23 ' N ' ' B' ' 259' ' ' PHE . 2.2 tt -57.87 -51.0 71.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.704 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 259' ' ' PHE . . . . . 0.749 ' N ' HD23 ' B' ' 258' ' ' LEU . 26.6 m-85 -57.99 -32.8 68.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.562 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 260' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -58.37 -40.54 82.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.62 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.89 -36.56 80.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 262' ' ' VAL . . . . . 0.453 ' HA ' ' OG ' ' B' ' 266' ' ' SER . 54.4 t -69.33 -36.51 72.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.59 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -57.27 -21.26 33.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -85.79 -22.69 27.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 128.18 24.85 1.13 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 266' ' ' SER . . . . . 0.453 ' OG ' ' HA ' ' B' ' 262' ' ' VAL . 26.9 p -100.68 162.47 12.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.616 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 3.1 m -107.38 155.32 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -54.19 -43.68 70.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.653 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.639 ' OE2' ' NH1' ' B' ' 211' ' ' ARG . 3.3 mp0 -44.66 -57.6 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.644 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -79.03 -37.02 40.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.561 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -57.08 -48.83 77.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 272' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.46 -36.08 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.647 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.522 ' CD ' ' C ' ' B' ' 273' ' ' LYS . 0.0 OUTLIER -79.87 -38.15 33.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.721 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 98.7 m -67.82 -56.44 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.558 ' CG1' ' N ' ' B' ' 276' ' ' ILE . 3.6 p -51.7 -44.96 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.508 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.558 ' N ' ' CG1' ' B' ' 275' ' ' VAL . 22.5 mm -65.61 -37.91 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 0.8 OUTLIER -67.1 -35.65 80.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.533 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -70.25 -36.31 74.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.651 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 279' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' B' ' 283' ' ' PHE . 1.8 m-85 -85.33 -14.36 46.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.494 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 280' ' ' ALA . . . . . 0.594 ' O ' ' HB3' ' B' ' 284' ' ' ALA . . . -74.79 -32.93 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.645 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.611 ' O ' ' HB2' ' B' ' 285' ' ' ALA . 6.4 mp0 -98.69 -39.92 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.614 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.77 -44.27 90.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.578 ' CD2' ' N ' ' B' ' 284' ' ' ALA . 0.0 OUTLIER -82.14 -33.02 29.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 284' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' B' ' 280' ' ' ALA . . . -85.79 1.09 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 285' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' B' ' 281' ' ' GLU . . . -81.17 -7.25 59.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.66 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.444 ' HG ' ' CD1' ' A' ' 53' ' ' LEU . 2.0 mm? -75.22 -178.73 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.629 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 75.4 m -101.59 -32.06 10.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.652 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.698 ' HB3' HD21 ' B' ' 291' ' ' LEU . 8.9 t70 -49.76 142.44 8.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -83.52 -37.67 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 290' ' ' TYR . . . . . 0.471 ' OH ' ' NH1' ' B' ' 294' ' ' ARG . 30.9 t80 -45.8 -29.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.467 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.957 HD13 HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -100.09 -63.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' B' ' 284' ' ' ALA . 0.1 OUTLIER -37.32 -41.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -72.46 -48.65 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.723 ' NH2' HD23 ' B' ' 244' ' ' LEU . 29.2 mtt180 -56.33 -19.42 14.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 295' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 294' ' ' ARG . . . -37.45 -50.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.42 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -47.41 -41.01 16.5 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' B' ' 294' ' ' ARG . 8.8 m-20 -65.53 -46.52 79.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 0.0 110.497 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.81 -54.53 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.378 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -59.35 -36.5 75.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.42 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -62.32 -41.41 98.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.341 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' B' ' 301' ' ' LEU . 0.2 OUTLIER -54.33 -43.75 71.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.375 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.78 -41.72 99.21 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -60.0 -45.01 94.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.862 0.363 . . . . 0.0 110.471 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.679 HH11 ' CD ' ' B' ' 222' ' ' GLU . 14.2 mmm-85 -63.47 -41.65 98.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.325 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 305' ' ' LEU . . . . . 0.585 ' O ' HD23 ' B' ' 309' ' ' LEU . 1.1 tp -65.61 -39.6 91.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.451 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 306' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' B' ' 306' ' ' LEU . 0.5 OUTLIER -65.57 -37.83 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.36 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -67.25 -42.53 83.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.359 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 5.9 m-70 -69.48 -27.34 65.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.452 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.585 HD23 ' O ' ' B' ' 305' ' ' LEU . 0.9 OUTLIER -60.28 -15.35 24.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.589 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 313' ' ' ASN . 25.6 m-20 -110.73 111.65 22.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.504 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' B' ' 312' ' ' ALA . 3.4 p30 -39.04 -33.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' B' ' 311' ' ' ASP . . . -64.34 -47.83 77.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.49 ' C ' ' O ' ' B' ' 312' ' ' ALA . 49.4 t30 32.4 -123.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 314' ' ' GLN . . . . . 0.477 ' H ' ' CG ' ' B' ' 313' ' ' ASN . 6.5 tp60 -146.62 159.64 43.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -83.79 -151.57 12.23 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 316' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' B' ' 317' ' ' ASN . 52.6 Cg_endo -73.01 -167.75 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.798 2.332 . . . . 0.0 112.189 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 317' ' ' ASN . . . . . 0.524 ' O ' ' CD1' ' B' ' 319' ' ' TRP . 88.1 m-20 -37.85 -67.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.688 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . 55.94 21.06 4.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' B' ' 317' ' ' ASN . 89.4 m95 -99.65 158.71 31.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 0.707 ' O ' ' HG3' ' B' ' 342' ' ' ARG . 52.7 Cg_endo -73.33 145.61 38.77 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.778 2.319 . . . . 0.0 112.129 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -72.96 -11.26 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 6.5 tpp85 -142.83 127.18 17.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 171.97 156.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' B' ' 325' ' ' LEU . 8.5 mt -110.22 156.13 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.481 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.475 ' N ' ' CG2' ' B' ' 324' ' ' ILE . 13.7 tp -102.85 125.59 49.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.701 ' O ' ' NE2' ' B' ' 187' ' ' GLN . 0.6 OUTLIER -119.28 98.92 6.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -125.38 155.07 40.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 328' ' ' ASP . . . . . 0.592 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 6.3 p-10 -68.58 -30.88 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.544 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.455 ' O ' ' OE1' ' B' ' 329' ' ' GLU . 0.3 OUTLIER -148.01 132.86 18.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' B' ' 357' ' ' ALA . 0.9 OUTLIER -74.44 118.41 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.575 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 331' ' ' SER . . . . . 0.596 ' HB3' HG22 ' B' ' 333' ' ' THR . 75.1 m -128.63 134.83 48.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -49.49 -40.18 36.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.596 HG22 ' HB3' ' B' ' 331' ' ' SER . 2.0 t -48.6 -49.25 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 334' ' ' THR . . . . . 0.516 ' N ' HG23 ' B' ' 333' ' ' THR . 8.7 m -60.53 -50.82 72.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 1.6 tp -50.16 -45.57 53.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -78.78 14.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -102.6 -37.02 8.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 1.193 HD22 ' O ' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -126.94 136.05 28.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.639 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 339' ' ' PRO . . . . . 0.634 ' O ' ' CD2' ' B' ' 338' ' ' LEU . 52.2 Cg_exo -47.9 147.16 7.79 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.84 2.36 . . . . 0.0 112.077 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -73.6 -22.27 60.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.16 -42.92 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.707 ' HG3' ' O ' ' B' ' 320' ' ' PRO . 3.8 mpt_? -77.0 -4.09 42.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' B' ' 343' ' ' LEU . 23.0 tp -97.18 100.08 11.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.485 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.582 ' O ' ' HB1' ' B' ' 181' ' ' ALA . 17.4 m -107.25 14.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.624 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 160.77 144.91 4.13 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.74 HG13 HG23 ' B' ' 368' ' ' THR . 3.6 p -138.63 152.45 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 0.0 110.606 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 347' ' ' VAL . . . . . 0.449 HG13 HG12 ' B' ' 326' ' ' VAL . 0.8 OUTLIER -144.74 126.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.558 HG12 ' H ' ' B' ' 350' ' ' ASP . 15.6 t -111.03 154.72 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -87.63 -31.84 19.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.665 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.558 ' H ' HG12 ' B' ' 348' ' ' VAL . 58.6 t0 -142.8 -102.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.558 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 25.71 72.34 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 352' ' ' ALA . . . . . 0.759 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -90.75 178.52 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.606 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 89.8 -174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.604 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 354' ' ' ASN . . . . . 0.553 ' O ' ' O ' ' B' ' 355' ' ' SER . 38.1 m-20 -62.72 -42.46 99.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 355' ' ' SER . . . . . 0.553 ' O ' ' O ' ' B' ' 354' ' ' ASN . 0.1 OUTLIER 54.65 148.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.52 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 356' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' B' ' 360' ' ' MET . 29.8 mt-30 -67.59 -41.26 84.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 357' ' ' ALA . . . . . 0.42 ' HB1' HD22 ' B' ' 330' ' ' LEU . . . -80.9 -48.64 12.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.625 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 358' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' B' ' 354' ' ' ASN . . . -53.72 -48.36 69.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.52 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.47 HG23 ' N ' ' B' ' 360' ' ' MET . 15.0 tt -61.79 -40.52 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 360' ' ' MET . . . . . 0.47 ' N ' HG23 ' B' ' 359' ' ' ILE . 55.6 mtm -69.74 -44.04 71.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.521 HG12 ' N ' ' B' ' 362' ' ' ARG . 0.5 OUTLIER -62.63 -42.06 94.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.622 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.521 ' N ' HG12 ' B' ' 361' ' ' VAL . 2.8 mtt180 -62.65 -45.12 94.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.51 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.417 ' HB3' ' OE1' ' B' ' 235' ' ' GLN . . . -66.04 -27.88 68.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 364' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' B' ' 364' ' ' LEU . 4.9 tp -69.78 -26.18 64.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 89.44 31.21 11.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 2.2 mm -105.58 122.7 41.83 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.29 129.64 16.17 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.841 2.36 . . . . 0.0 112.205 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 368' ' ' THR . . . . . 0.74 HG23 HG13 ' B' ' 346' ' ' VAL . 98.3 m -148.69 151.26 34.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 4.0 p -146.95 149.37 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.546 ' O ' ' N ' ' B' ' 174' ' ' LEU . 2.3 mtt -133.47 163.54 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 107.52 2.52 35.14 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.03 109.09 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 110.548 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 373' ' ' ASP . . . . . 0.636 ' C ' HD13 ' B' ' 374' ' ' ILE . 22.1 p30 -99.46 34.3 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.737 HD13 ' N ' ' B' ' 374' ' ' ILE . 0.0 OUTLIER -105.37 163.86 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.553 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 20.1 mp0 -80.68 118.66 73.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.608 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.44 -40.79 29.37 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.846 2.364 . . . . 0.0 112.122 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 35.3 t -53.3 -54.89 29.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.597 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 69.4 t -57.51 -42.05 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.414 ' C ' ' H ' ' B' ' 381' ' ' ARG . 3.9 mp -64.4 -35.9 82.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.706 ' O ' ' CG ' ' B' ' 380' ' ' HIS . 6.6 t60 -76.86 39.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.567 ' C ' ' HG2' ' B' ' 382' ' ' ARG . 0.3 OUTLIER -161.3 12.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.519 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 382' ' ' ARG . . . . . 0.567 ' HG2' ' C ' ' B' ' 381' ' ' ARG . 13.9 mmt85 -148.05 175.52 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 21.8 m -84.61 141.94 30.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.621 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.758 ' C ' HD13 ' B' ' 385' ' ' ILE . 13.2 mt -115.08 140.47 49.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.444 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 385' ' ' ILE . . . . . 0.758 HD13 ' C ' ' B' ' 384' ' ' LEU . 0.2 OUTLIER -130.46 95.54 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.533 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.1 141.78 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.695 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.678 ' O ' ' N ' ' B' ' 391' ' ' GLY . 60.1 t0 -139.16 81.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.587 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -51.61 -39.46 45.83 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -55.5 -50.99 68.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.572 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 390' ' ' ARG . . . . . 0.484 ' NH2' ' OD2' ' B' ' 422' ' ' ASP . 34.5 ttp180 -93.95 -11.89 29.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 55.0 47.06 75.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 392' ' ' GLU . . . . . 0.47 ' OE2' ' C ' ' B' ' 171' ' ' ILE . 1.0 OUTLIER -127.17 160.53 30.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.712 0.291 . . . . 0.0 110.581 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.45 ' C ' HD22 ' B' ' 394' ' ' LEU . 12.3 tp -125.23 115.48 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.961 ' N ' HD22 ' B' ' 394' ' ' LEU . 1.4 mm? -96.69 154.77 17.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.587 ' O ' ' C ' ' B' ' 396' ' ' ASP . 18.4 m -123.28 91.07 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' B' ' 395' ' ' VAL . 16.6 p-10 23.72 56.21 0.3 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.631 ' HG2' HD21 ' B' ' 402' ' ' LEU . 40.4 Cg_endo -70.51 -173.29 0.79 Allowed 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.737 2.291 . . . . 0.0 112.152 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -50.06 143.62 12.06 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -72.82 -28.51 13.48 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.848 2.365 . . . . 0.0 112.16 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 400' ' ' VAL . . . . . 0.601 HG13 ' N ' ' B' ' 401' ' ' LEU . 13.9 p -72.7 -47.35 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 401' ' ' LEU . . . . . 0.601 ' N ' HG13 ' B' ' 400' ' ' VAL . 7.0 tp -58.77 -42.07 88.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.646 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 402' ' ' LEU . . . . . 0.631 HD21 ' HG2' ' B' ' 397' ' ' PRO . 84.7 mt -65.08 -30.71 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.571 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -62.72 -51.46 67.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.506 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -71.53 -36.81 71.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.465 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -51.03 -43.9 60.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 406' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' B' ' 410' ' ' SER . 57.5 tt0 -63.63 -38.57 91.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.55 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.445 ' HA ' ' OG ' ' B' ' 410' ' ' SER . 7.9 mtp180 -74.48 -34.18 63.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.581 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 39.1 mt -63.47 -46.91 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 409' ' ' ILE . . . . . 0.459 HG13 ' N ' ' B' ' 410' ' ' SER . 38.5 pt -75.9 -31.84 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.492 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 410' ' ' SER . . . . . 0.459 ' N ' HG13 ' B' ' 409' ' ' ILE . 52.5 p -75.65 -20.0 58.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.593 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -56.79 -93.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.65 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 412' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 178.51 25.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 0.613 ' O ' ' N ' ' B' ' 415' ' ' LEU . 7.6 pt -113.95 -122.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.67 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' B' ' 413' ' ' ILE . 1.1 mm-40 24.77 -88.01 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.57 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 415' ' ' LEU . . . . . 0.83 HD23 ' H ' ' B' ' 415' ' ' LEU . 0.1 OUTLIER -51.87 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.626 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 71.1 m -47.18 -31.41 3.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 417' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' B' ' 414' ' ' GLU . 0.3 OUTLIER -127.08 71.4 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.631 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 418' ' ' LEU . . . . . 0.748 ' O ' ' HB2' ' B' ' 419' ' ' ALA . 0.3 OUTLIER -42.65 162.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.55 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 419' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' B' ' 418' ' ' LEU . . . 154.1 -21.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 420' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' B' ' 421' ' ' ASP . 11.9 tm-20 67.44 101.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.5 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 421' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' B' ' 423' ' ' VAL . 53.2 p-10 -92.07 -145.09 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.669 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.484 ' OD2' ' NH2' ' B' ' 390' ' ' ARG . 86.1 m-20 57.04 8.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.493 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 423' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' B' ' 422' ' ' ASP . 35.5 m 32.4 -144.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.627 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.519 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.5 t -84.6 159.16 20.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.573 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.536 HG21 ' OE2' ' A' ' 72' ' ' GLU . 69.0 t -133.2 120.36 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.6 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 5' ' ' GLN . 46.6 pttt -127.61 171.24 11.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.641 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 31.7 mt-30 -158.82 135.0 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.461 HG22 ' OE2' ' A' ' 8' ' ' GLU . 73.9 m -81.95 124.29 29.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.4 t -125.16 127.08 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.461 ' OE2' HG22 ' A' ' 6' ' ' THR . 2.8 mm-40 -83.43 125.92 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.7 mt -88.95 105.29 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 1.24 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 57.6 p -83.4 56.62 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 1.24 ' OD1' ' O ' ' A' ' 10' ' ' THR . 2.6 p-10 63.83 24.57 13.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -165.58 99.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.751 ' O ' HD13 ' A' ' 13' ' ' LEU . 1.1 tm? -61.03 -11.54 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.564 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.45 -89.7 0.11 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.643 ' O ' ' N ' ' A' ' 17' ' ' ALA . 10.1 mtm -133.57 -164.74 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.585 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.704 ' C ' ' H ' ' A' ' 18' ' ' ARG . 8.0 t-80 -58.08 68.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.56 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.643 ' N ' ' O ' ' A' ' 15' ' ' MET . . . 55.88 -7.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.503 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' H ' ' C ' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -43.77 -53.1 13.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.621 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 51.8 Cg_exo -47.87 -49.17 14.27 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.796 2.331 . . . . 0.0 112.166 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.05 87.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.432 ' SD ' HD12 ' B' ' 244' ' ' LEU . 10.2 tpt -64.94 -40.68 95.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.502 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -64.06 -37.71 88.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.818 HD21 HG12 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -50.22 -45.54 53.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -56.92 -39.45 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.566 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -73.85 -33.91 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.65 -43.12 81.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.49 ' SD ' HG12 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -54.6 -33.68 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -79.26 -34.58 42.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.67 -31.05 41.78 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -106.04 153.24 22.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.511 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 10.2 m-20 -97.38 94.1 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 167.64 155.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 2.3 mm-40 -100.3 130.23 46.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.808 HG11 HD12 ' A' ' 23' ' ' LEU . 8.7 p -107.37 132.87 53.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -134.53 136.38 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.802 ' N ' HD12 ' A' ' 36' ' ' LEU . 3.6 mp -106.06 151.23 24.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -147.72 133.87 19.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.658 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 1.062 HD22 ' CB ' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -91.02 156.12 18.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.63 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -53.21 -28.45 26.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 1.062 ' CB ' HD22 ' A' ' 38' ' ' ASN . 2.9 tp10 -67.47 -10.22 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.471 ' N ' ' OD1' ' A' ' 38' ' ' ASN . . . 91.53 12.32 59.74 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.7 m -85.21 116.57 23.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.488 ' OE1' ' CG ' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -77.47 103.65 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.569 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.641 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.9 64.98 6.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' CG ' ' OE1' ' A' ' 43' ' ' GLU . 41.8 mt-10 -40.26 121.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.705 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -63.16 -9.7 12.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -99.81 27.54 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -145.63 124.48 12.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.559 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 p -64.13 -36.13 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.52 HG12 ' N ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -61.29 -37.15 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.641 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.21 -42.01 93.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 52' ' ' LEU . 93.1 mt -59.55 -38.39 80.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.183 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -65.82 -33.49 75.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.601 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.955 ' N ' HD13 ' A' ' 53' ' ' LEU . 1.2 tpt -71.81 -34.67 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD21 ' HG ' ' A' ' 13' ' ' LEU . 3.3 tt -64.86 -34.46 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.594 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -34.79 61.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.88 -6.62 51.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.708 ' HB2' HH11 ' A' ' 61' ' ' ARG . . . -83.25 28.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.612 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -68.72 97.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.01 5.89 40.43 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.708 HH11 ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -105.83 165.27 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.549 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -98.91 142.47 30.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 38' ' ' ASN . 40.6 pt -130.17 162.34 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.584 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.684 ' O ' ' OE1' ' A' ' 66' ' ' GLU . 41.8 tt0 -124.55 100.82 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.503 ' HB ' HD21 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -80.56 128.23 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.538 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.684 ' OE1' ' O ' ' A' ' 64' ' ' GLU . 3.9 pm0 -120.88 138.01 54.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.554 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.54 131.92 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.465 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 73.1 m -124.91 128.28 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 72' ' ' GLU . . . 142.84 162.54 9.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -47.28 -45.82 21.26 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.828 2.352 . . . . 0.0 112.124 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.7 mp0 -92.76 5.26 51.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.655 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.586 ' C ' ' OE1' ' A' ' 72' ' ' GLU . 1.3 pp20? -35.57 -38.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 5.9 tp10 -63.98 -49.56 72.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.548 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' GLN . 14.3 mp0 -56.96 -51.17 70.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.621 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.019 ' O ' HG13 ' A' ' 79' ' ' VAL . . . -56.04 -49.36 73.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.952 ' O ' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -64.67 -44.11 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.531 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.0 99.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.48 -43.9 98.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.019 HG13 ' O ' ' A' ' 75' ' ' ALA . 2.5 m -66.44 -42.75 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -64.72 -41.75 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.472 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.521 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.73 -35.3 80.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.457 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 36.6 mt -74.16 -37.73 63.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.507 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.475 ' N ' ' CD2' ' A' ' 83' ' ' PHE . 10.3 m-30 -69.78 -31.87 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.458 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 85' ' ' SER . 93.0 m-20 -82.39 -3.46 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.57 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 171' ' ' ILE . . . . . 0.525 ' HB ' HD23 ' B' ' 393' ' ' LEU . 4.7 mp -126.32 150.04 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.6 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.539 HH12 ' CZ ' ' B' ' 390' ' ' ARG . 7.5 mmt180 -100.95 128.03 47.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.958 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -128.39 158.72 37.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.552 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.472 ' O ' ' HG3' ' B' ' 370' ' ' MET . 11.8 mt -69.8 115.62 35.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.88 102.0 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.78 2.32 . . . . 0.0 112.139 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -78.1 -35.83 48.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.464 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -143.25 135.79 13.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.66 148.35 46.95 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.72 2.28 . . . . 0.0 112.132 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 130.09 164.3 11.32 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 180' ' ' VAL . . . . . 0.458 HG12 ' N ' ' B' ' 181' ' ' ALA . 61.3 t -105.03 156.46 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.568 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 181' ' ' ALA . . . . . 0.458 ' N ' HG12 ' B' ' 180' ' ' VAL . . . -146.78 126.23 13.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.619 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 182' ' ' ILE . . . . . 0.569 HG23 ' O ' ' B' ' 182' ' ' ILE . 17.2 tt -132.71 119.52 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.56 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 175.9 -178.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.466 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -77.83 152.33 33.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.619 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -92.14 142.34 15.99 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 186' ' ' TRP . . . . . 0.48 ' CE3' ' O ' ' B' ' 187' ' ' GLN . 9.9 t90 -148.82 140.52 23.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 110.617 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 187' ' ' GLN . . . . . 0.48 ' O ' ' CE3' ' B' ' 186' ' ' TRP . 16.6 pt20 -74.54 152.22 39.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -53.04 169.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -71.31 46.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 86.2 m -120.79 126.8 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.53 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 9.5 mt -131.53 118.16 16.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.6 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -47.9 114.15 1.01 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.818 2.346 . . . . 0.0 112.092 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' B' ' 195' ' ' GLU . 2.6 tp -131.55 -48.12 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 194' ' ' MET . . . . . 0.414 ' C ' ' O ' ' B' ' 193' ' ' LEU . 64.1 mtt -37.94 -23.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 195' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' B' ' 193' ' ' LEU . 76.3 mm-40 -66.95 -21.43 65.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -69.49 34.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.52 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' B' ' 195' ' ' GLU . 2.0 p -73.65 105.23 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 198' ' ' TYR . . . . . 0.721 ' CE1' ' HB2' ' B' ' 200' ' ' ALA . 10.5 p90 -126.09 178.24 5.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.485 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 199' ' ' GLN . . . . . 0.666 ' O ' ' CD1' ' B' ' 198' ' ' TYR . 13.3 tm0? -80.77 139.86 35.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.487 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 200' ' ' ALA . . . . . 0.721 ' HB2' ' CE1' ' B' ' 198' ' ' TYR . . . -177.53 118.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 10.1 m -123.25 88.32 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 202' ' ' THR . . . . . 0.752 ' C ' HD13 ' B' ' 203' ' ' LEU . 3.4 m -142.53 90.24 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.673 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 1.194 HD13 ' N ' ' B' ' 203' ' ' LEU . 0.0 OUTLIER -86.09 142.26 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.461 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.772 ' HB2' ' HG2' ' B' ' 208' ' ' GLU . 75.9 m-20 -147.72 101.9 3.69 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -70.59 -2.82 11.38 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.629 2.22 . . . . 0.0 112.061 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 206' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -113.24 -39.0 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.483 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 207' ' ' LEU . . . . . 0.858 ' O ' ' HB3' ' B' ' 211' ' ' ARG . 0.8 OUTLIER -88.91 -33.57 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.772 ' HG2' ' HB2' ' B' ' 204' ' ' ASP . 69.2 mm-40 -76.51 -44.64 34.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -70.34 -48.34 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.637 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 210' ' ' GLU . . . . . 0.421 ' O ' HG22 ' B' ' 213' ' ' THR . 6.7 tm-20 -67.25 -43.37 82.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.456 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.858 ' HB3' ' O ' ' B' ' 207' ' ' LEU . 0.1 OUTLIER -64.13 -33.45 75.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.452 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.604 ' N ' ' HG3' ' B' ' 211' ' ' ARG . 2.1 mt -69.24 -62.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.499 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 213' ' ' THR . . . . . 0.621 HG23 ' N ' ' B' ' 214' ' ' GLY . 6.2 t -45.02 -50.49 10.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 214' ' ' GLY . . . . . 0.621 ' N ' HG23 ' B' ' 213' ' ' THR . . . -57.68 -37.19 82.29 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.14 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.496 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.726 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.9 mp -54.24 -49.87 68.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 0.7 OUTLIER -50.66 -35.88 32.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.442 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.62 -38.22 48.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -85.77 -50.62 7.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.68 -49.34 73.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.562 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.63 ' C ' ' HE ' ' B' ' 225' ' ' ARG . 96.9 m-20 -63.0 -34.74 78.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.476 ' OE2' ' CZ ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -60.78 -43.16 98.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 223' ' ' PHE . . . . . 0.433 ' N ' ' HG2' ' B' ' 222' ' ' GLU . 24.5 m-85 -64.92 -45.87 84.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.655 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 224' ' ' ARG . . . . . 0.535 ' NH1' ' OD1' ' B' ' 221' ' ' ASN . 5.0 mtp180 -65.67 -37.53 86.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.478 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 225' ' ' ARG . . . . . 0.63 ' HE ' ' C ' ' B' ' 221' ' ' ASN . 80.3 mtm180 -71.72 -32.13 67.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 8.1 m-30 -64.91 -52.51 56.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.477 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 2.2 p -53.74 -50.44 65.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.457 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -40.44 75.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -71.91 -41.7 67.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.528 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' B' ' 234' ' ' ALA . 21.2 m-85 -69.62 -41.42 75.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.632 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -50.46 -33.5 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.471 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.62 -22.64 62.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -129.87 -65.65 0.11 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -51.27 164.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.486 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.581 HE21 ' HB3' ' B' ' 237' ' ' GLU . 8.7 pt20 -71.44 -176.62 1.58 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -72.94 -38.67 66.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.505 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.581 ' HB3' HE21 ' B' ' 235' ' ' GLN . 41.3 tt0 -47.18 -54.94 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.479 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -52.5 -61.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.613 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -50.99 -41.8 59.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.21 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' B' ' 238' ' ' THR . 5.8 mm -66.21 -66.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.504 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.574 ' O ' ' N ' ' B' ' 245' ' ' TYR . 11.1 m-85 -54.49 -60.83 2.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' B' ' 242' ' ' PHE . 63.9 t0 -35.33 -41.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' B' ' 244' ' ' LEU . 14.4 tp -67.56 -41.27 84.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' B' ' 242' ' ' PHE . 19.5 m-30 -63.2 -48.17 79.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.575 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.9 -46.74 52.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.614 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 247' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -70.66 -34.01 71.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.537 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.864 ' O ' HD12 ' B' ' 248' ' ' LEU . 0.1 OUTLIER -69.12 -39.41 78.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.604 ' N ' ' HG ' ' B' ' 248' ' ' LEU . 16.9 tp -75.88 -42.39 49.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.628 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 88.6 p -71.99 -14.22 61.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.799 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 44.9 p30 -51.89 133.32 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 71.0 p -60.55 -2.31 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.467 ' H ' ' C ' ' B' ' 251' ' ' ASP . 48.4 ttt85 -77.88 -49.36 14.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.537 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 254' ' ' LEU . . . . . 0.439 ' O ' HD23 ' B' ' 254' ' ' LEU . 2.1 tt -73.23 -45.73 54.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.558 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.426 HH21 ' HD2' ' B' ' 255' ' ' ARG . 9.3 ttm180 -57.45 -48.62 78.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -56.97 -43.09 81.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.594 ' OE2' ' CZ ' ' B' ' 279' ' ' PHE . 27.4 mt-10 -56.61 -45.9 81.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.61 HD23 HG21 ' B' ' 275' ' ' VAL . 80.2 mt -54.39 -60.98 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -57.24 -34.32 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.32 92.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -69.04 -40.45 78.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 64.4 t -66.83 -38.34 81.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -58.96 -17.16 22.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.527 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -93.22 -19.51 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.534 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 119.95 30.3 1.51 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 34.0 m -107.35 156.57 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.54 143.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.675 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -53.39 -59.1 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.541 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' B' ' 268' ' ' ALA . 2.5 mp0 -32.2 -50.41 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 -35.28 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.607 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -54.42 -46.44 73.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.862 ' O ' HG23 ' B' ' 276' ' ' ILE . 18.8 m -67.21 -30.77 50.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -74.64 -42.97 57.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 93.5 m -66.58 -52.26 47.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.61 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.61 HG21 HD23 ' B' ' 258' ' ' LEU . 71.2 t -52.73 -58.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.862 HG23 ' O ' ' B' ' 272' ' ' VAL . 28.4 pt -56.18 -39.51 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.587 ' N ' HG13 ' B' ' 276' ' ' ILE . 43.3 tp10 -66.72 -38.23 86.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 278' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' B' ' 282' ' ' GLN . 5.2 ttpt -76.68 -22.07 54.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 279' ' ' PHE . . . . . 0.594 ' CZ ' ' OE2' ' B' ' 257' ' ' GLU . 0.6 OUTLIER -85.41 -34.8 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.622 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 280' ' ' ALA . . . . . 0.675 ' O ' ' CB ' ' B' ' 284' ' ' ALA . . . -72.76 -34.34 66.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.665 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' B' ' 281' ' ' GLU . 0.2 OUTLIER -78.58 -42.32 29.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 282' ' ' GLN . . . . . 0.528 ' HB3' ' CE2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -46.76 -56.2 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.528 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.644 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -79.01 -42.36 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.649 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 284' ' ' ALA . . . . . 0.71 ' HB2' ' CB ' ' B' ' 295' ' ' ALA . . . -61.27 6.94 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 285' ' ' ALA . . . . . 0.577 ' H ' ' C ' ' B' ' 283' ' ' PHE . . . -104.54 -3.49 23.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 1.056 HD22 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -86.23 -167.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.653 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 78.2 p -109.28 -24.45 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.452 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.711 ' O ' ' HB2' ' B' ' 292' ' ' LYS . 4.1 m-20 -50.88 100.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.668 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -70.9 -43.03 69.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 290' ' ' TYR . . . . . 0.576 ' CD2' ' CD2' ' B' ' 291' ' ' LEU . 5.1 t80 -60.41 -31.51 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.436 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.953 ' HB3' HD23 ' A' ' 53' ' ' LEU . 3.6 mm? -102.61 -34.49 9.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.711 ' HB2' ' O ' ' B' ' 288' ' ' ASP . 3.1 tttp -41.8 -52.98 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 293' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 296' ' ' GLY . 4.8 tt0 -43.27 -29.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.597 ' HB2' ' O ' ' B' ' 291' ' ' LEU . 9.4 tpp180 -40.24 -43.1 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.351 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 295' ' ' ALA . . . . . 0.71 ' CB ' ' HB2' ' B' ' 284' ' ' ALA . . . -57.59 -45.79 84.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.316 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 296' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -53.84 -45.39 70.28 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.511 ' CG ' ' OH ' ' B' ' 245' ' ' TYR . 3.7 m-20 -62.71 -39.03 92.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 110.284 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 298' ' ' LEU . . . . . 0.445 HD11 ' CD2' ' B' ' 248' ' ' LEU . 6.0 mp -60.29 -49.48 77.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.3 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -54.04 -44.82 71.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.216 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.432 ' CB ' HG21 ' B' ' 333' ' ' THR . . . -63.96 -38.22 90.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.173 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.546 HD21 HD13 ' B' ' 249' ' ' LEU . 4.1 tt -63.85 -40.3 96.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.205 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.23 -41.86 99.62 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.34 -41.66 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.476 ' CZ ' ' OE2' ' B' ' 222' ' ' GLU . 1.5 mmm180 -68.55 -41.6 79.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.237 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.77 -39.74 84.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.296 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 306' ' ' LEU . . . . . 0.514 ' O ' HD23 ' B' ' 306' ' ' LEU . 2.4 tt -69.07 -38.73 79.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.399 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 307' ' ' PHE . . . . . 0.542 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.9 m-85 -68.88 -41.64 78.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.425 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.452 ' C ' ' N ' ' B' ' 310' ' ' ASP . 42.2 m-70 -70.92 -28.38 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' B' ' 309' ' ' LEU . 9.4 tp -48.63 -13.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.524 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.77 ' O ' ' N ' ' B' ' 312' ' ' ALA . 0.0 OUTLIER -133.84 92.17 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -37.93 -13.8 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.478 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.77 ' N ' ' O ' ' B' ' 310' ' ' ASP . . . -73.48 -7.17 50.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' B' ' 310' ' ' ASP . 6.4 t30 -80.72 101.39 9.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 173.47 167.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 315' ' ' GLY . . . . . 0.742 ' C ' ' H ' ' B' ' 317' ' ' ASN . . . 135.38 -91.83 0.23 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -47.61 7.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.867 2.378 . . . . 0.0 112.136 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 317' ' ' ASN . . . . . 0.742 ' H ' ' C ' ' B' ' 315' ' ' GLY . 25.6 m120 -58.31 -27.79 64.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.651 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -51.22 92.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.629 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.695 ' CD1' ' O ' ' B' ' 317' ' ' ASN . 1.2 m-90 -86.84 127.43 59.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.432 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 0.432 ' CG ' ' CD1' ' B' ' 323' ' ' PHE . 52.4 Cg_endo -73.2 173.8 13.12 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.762 2.308 . . . . 0.0 112.036 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 321' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' B' ' 321' ' ' GLU . 11.7 pt-20 -86.18 -15.17 41.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.728 ' O ' ' HD1' ' B' ' 323' ' ' PHE . 20.7 mmm-85 -138.5 101.59 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.628 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.728 ' HD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER -150.24 154.01 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.599 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.56 HG13 ' HB3' ' B' ' 183' ' ' ALA . 56.4 mt -115.78 137.44 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.653 HD23 ' C ' ' B' ' 325' ' ' LEU . 6.9 tt -94.56 122.69 37.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.647 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.562 ' N ' HD23 ' B' ' 325' ' ' LEU . 34.4 t -119.25 118.51 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -140.24 136.9 33.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 328' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 51.7 p30 -64.27 -20.48 66.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.471 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' B' ' 330' ' ' LEU . 13.3 tm-20 -138.74 138.29 37.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.556 HD21 ' CG1' ' B' ' 348' ' ' VAL . 98.5 mt -82.78 118.86 23.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.4 122.07 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.431 ' N ' ' HB2' ' B' ' 357' ' ' ALA . . . -60.51 -41.88 95.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.432 HG21 ' CB ' ' B' ' 300' ' ' ALA . 1.2 t -52.89 -33.57 50.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.61 -50.18 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' B' ' 337' ' ' GLU . 5.5 mp -61.42 -23.15 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.602 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.41 11.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.693 ' C ' HD22 ' B' ' 338' ' ' LEU . 39.5 mt-10 -106.74 -34.23 7.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.845 HD22 ' N ' ' B' ' 338' ' ' LEU . 2.7 mm? -104.73 141.74 23.18 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.77 162.18 41.85 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.753 2.302 . . . . 0.0 112.157 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -70.64 -16.16 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.35 -39.75 64.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.472 HH11 HD23 ' B' ' 343' ' ' LEU . 0.1 OUTLIER -80.54 -25.63 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.566 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.472 HD23 HH11 ' B' ' 342' ' ' ARG . 90.4 mt -79.19 102.72 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 1.1 m -116.03 4.15 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 177.94 151.35 9.25 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 69.1 t -135.36 145.52 31.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.341 . . . . 0.0 110.6 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 61.9 t -147.13 120.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.556 ' CG1' HD21 ' B' ' 330' ' ' LEU . 0.4 OUTLIER -119.26 153.03 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.512 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 349' ' ' ARG . . . . . 0.402 ' N ' HG23 ' B' ' 348' ' ' VAL . 36.9 ttm-85 -86.25 -42.33 13.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.537 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.424 ' O ' ' CG2' ' B' ' 348' ' ' VAL . 5.3 p-10 -133.53 -116.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.548 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.417 ' N ' ' OD2' ' B' ' 350' ' ' ASP . . . 64.3 160.24 0.39 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -69.2 153.42 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.11 -11.1 55.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -131.56 47.25 2.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 5.3 p -85.51 165.73 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 356' ' ' GLN . . . . . 0.417 ' O ' HG22 ' B' ' 359' ' ' ILE . 17.0 pt20 -54.88 -37.47 66.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 357' ' ' ALA . . . . . 0.431 ' HB2' ' N ' ' B' ' 332' ' ' ALA . . . -77.88 -33.73 51.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.636 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.96 99.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.576 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.417 HG22 ' O ' ' B' ' 356' ' ' GLN . 8.9 tt -73.74 -24.89 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.494 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 360' ' ' MET . . . . . 0.431 ' O ' HD23 ' B' ' 364' ' ' LEU . 12.0 ttt -70.19 -48.28 57.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.642 HG11 ' OG1' ' B' ' 368' ' ' THR . 46.1 t -66.48 -44.35 90.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' B' ' 363' ' ' ALA . 0.0 OUTLIER -60.98 -46.43 90.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.628 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.543 ' N ' ' HG2' ' B' ' 362' ' ' ARG . . . -66.27 -29.25 69.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.581 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 364' ' ' LEU . . . . . 0.431 HD23 ' O ' ' B' ' 360' ' ' MET . 0.8 OUTLIER -66.75 -26.8 67.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.507 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.49 22.14 24.99 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 366' ' ' ILE . . . . . 0.766 HG23 ' HD2' ' B' ' 367' ' ' PRO . 1.3 mm -104.35 143.22 26.25 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 367' ' ' PRO . . . . . 0.766 ' HD2' HG23 ' B' ' 366' ' ' ILE . 50.3 Cg_endo -72.65 131.09 16.76 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.892 2.395 . . . . 0.0 112.083 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 368' ' ' THR . . . . . 0.642 ' OG1' HG11 ' B' ' 361' ' ' VAL . 69.6 m -144.74 147.95 33.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.52 148.64 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.958 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 0.1 OUTLIER -126.6 167.11 16.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 92.47 -1.14 72.04 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -54.95 114.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 373' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' B' ' 373' ' ' ASP . 25.6 p-10 -83.66 27.36 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.619 HG21 HD21 ' B' ' 379' ' ' LEU . 25.5 mm -112.23 126.25 69.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -83.5 131.97 51.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 376' ' ' PRO . . . . . 0.641 ' HA ' HD12 ' B' ' 379' ' ' LEU . 52.8 Cg_exo -47.7 -28.24 9.15 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.858 2.372 . . . . 0.0 112.002 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 37.7 t -52.21 -48.8 64.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 378' ' ' VAL . . . . . 0.43 HG12 ' O ' ' B' ' 378' ' ' VAL . 3.5 t -88.71 27.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.614 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.649 ' O ' ' C ' ' B' ' 380' ' ' HIS . 96.9 mt -124.94 -19.67 5.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.565 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.649 ' C ' ' O ' ' B' ' 379' ' ' LEU . 2.1 p80 15.66 -85.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.598 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.1 OUTLIER -140.85 24.29 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.683 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.76 168.52 4.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 1.7 m -78.47 129.14 34.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.572 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' B' ' 384' ' ' LEU . 5.1 mt -119.82 136.51 54.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.592 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 96.7 mt -136.58 110.75 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.532 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 18.8 m -124.79 158.59 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.629 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.5 t0 -138.37 108.84 6.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -54.95 -37.25 62.04 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -60.14 -50.65 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 390' ' ' ARG . . . . . 0.539 ' CZ ' HH12 ' B' ' 172' ' ' ARG . 15.6 mmm180 -88.49 -8.14 55.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.582 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 47.23 49.87 18.13 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 392' ' ' GLU . . . . . 1.009 ' C ' HD13 ' B' ' 393' ' ' LEU . 1.5 pm0 -133.26 164.34 27.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.658 0.266 . . . . 0.0 110.659 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 1.129 HD22 ' N ' ' B' ' 393' ' ' LEU . 0.0 OUTLIER -126.22 130.83 51.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.567 HD23 ' HG3' ' B' ' 397' ' ' PRO . 6.9 mp -108.53 150.16 27.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.621 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.903 ' O ' ' OD1' ' B' ' 396' ' ' ASP . 15.0 p -123.74 102.59 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.502 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.903 ' OD1' ' O ' ' B' ' 395' ' ' VAL . 11.3 p30 29.93 50.1 0.37 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.92 ' O ' ' HD3' ' B' ' 399' ' ' PRO . 46.3 Cg_endo -71.64 178.74 5.36 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.764 2.309 . . . . 0.0 112.23 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.12 94.82 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 399' ' ' PRO . . . . . 0.92 ' HD3' ' O ' ' B' ' 397' ' ' PRO . 51.8 Cg_exo -47.78 -38.39 29.79 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.868 2.379 . . . . 0.0 112.105 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 400' ' ' VAL . . . . . 0.656 HG13 ' N ' ' B' ' 401' ' ' LEU . 9.9 p -60.88 -49.86 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.609 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 401' ' ' LEU . . . . . 0.656 ' N ' HG13 ' B' ' 400' ' ' VAL . 0.2 OUTLIER -61.13 -46.68 89.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.44 -21.4 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -48.15 32.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.18 -43.64 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -48.17 -53.31 17.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.631 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -60.06 -35.01 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.615 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -71.06 -31.15 67.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.38 -46.64 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.43 -48.48 82.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 91.6 p -64.6 -27.9 69.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 411' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' B' ' 412' ' ' GLU . 1.1 mm-40 -55.8 -50.99 68.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.533 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' B' ' 411' ' ' GLU . 0.9 OUTLIER 158.28 -0.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 413' ' ' ILE . . . . . . . . . . . . . 13.1 mt -79.62 44.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.675 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.78 87.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 415' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 415' ' ' LEU . 0.6 OUTLIER -105.5 -18.75 14.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 70.5 p -118.58 63.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -73.39 -40.92 63.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 5.1 mt -82.03 -61.93 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.513 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 419' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' B' ' 420' ' ' GLU . . . -175.75 -77.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.501 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 420' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' B' ' 419' ' ' ALA . 10.6 mp0 -141.91 95.49 2.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.596 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -93.44 -161.65 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.615 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -60.91 128.6 37.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.0 -135.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 63.9 t30 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.673 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.634 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.561 HG22 ' OG1' ' A' ' 68' ' ' THR . 67.7 p -82.92 158.19 22.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.661 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -132.43 117.83 33.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -125.62 173.17 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -162.73 133.58 4.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.46 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.427 ' CG2' ' CD ' ' A' ' 62' ' ' GLN . 24.7 m -78.74 129.42 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.652 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.4 t -130.3 123.67 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.436 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -80.13 127.89 32.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.9 mt -91.22 105.43 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.535 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 1.187 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 88.6 m -83.59 58.01 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 1.187 ' OD1' ' O ' ' A' ' 10' ' ' THR . 24.1 p30 61.97 24.36 14.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -164.8 99.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.522 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.729 ' H ' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -64.45 -3.71 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.46 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 16' ' ' HIS . . . 145.29 -144.45 13.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.52 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -64.36 3.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 110.515 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.649 ' NE2' ' CE2' ' B' ' 290' ' ' TYR . 5.5 t-160 75.44 106.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.767 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 67.99 -59.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.719 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.4 mpt_? -34.05 -46.43 0.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.767 ' HD2' ' C ' ' A' ' 17' ' ' ALA . 37.0 Cg_endo -68.95 -38.16 10.06 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.692 2.262 . . . . 0.0 112.115 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -71.89 -39.95 69.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 21' ' ' MET . 15.9 tmm? -72.91 -38.12 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.579 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -64.24 -36.54 84.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 23' ' ' LEU . 10.9 tp -50.28 -44.18 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -39.35 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -73.78 -35.14 64.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.704 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.888 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 6.1 mp -67.89 -41.25 83.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.821 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 51.9 ttm -58.12 -29.26 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.477 HE22 ' CE1' ' B' ' 247' ' ' HIS . 61.1 mt-30 -86.45 -28.12 23.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.08 -24.12 42.23 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.888 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 2.0 p90 -120.9 138.78 53.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.717 0.294 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.736 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.2 m-20 -80.19 110.65 15.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.746 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.17 148.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.512 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -98.63 127.46 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 23' ' ' LEU . 55.6 t -105.68 134.01 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.487 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 34' ' ' VAL . 67.9 mt -135.43 136.94 41.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.67 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 3.4 mp -107.25 150.62 26.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.472 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -147.84 134.44 19.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.55 HD21 ' N ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -90.4 156.56 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.42 -27.64 25.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.51 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 10.8 mm-40 -68.15 -10.45 54.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.94 12.13 59.42 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -84.75 116.68 23.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -77.55 103.93 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.631 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -90.14 65.12 6.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.633 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -40.62 121.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.658 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -63.28 -9.55 12.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.476 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -99.88 28.54 4.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.11 123.61 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.521 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.7 p -63.74 -35.54 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 51' ' ' ALA . 20.4 tt -61.45 -36.28 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.637 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.631 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.08 -43.3 87.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -58.2 -37.84 75.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.009 HD23 ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -65.62 -35.45 80.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . 1.009 ' N ' HD23 ' A' ' 53' ' ' LEU . 1.7 tmt? -69.54 -35.64 75.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.446 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 4.8 tp -63.74 -36.37 83.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.914 ' OD2' HD11 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -52.06 -35.38 47.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.9 p -76.07 -6.35 50.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.448 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.34 28.84 0.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -68.93 97.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.05 6.04 40.14 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.51 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -107.12 163.6 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.743 0.306 . . . . 0.0 110.561 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' CD ' ' CG2' ' A' ' 6' ' ' THR . 38.4 tt0 -96.58 144.34 26.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.1 pt -131.59 161.93 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.49 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 29.2 mt-10 -123.38 101.56 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.75 126.71 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.506 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -119.25 139.35 52.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.22 130.59 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.561 ' OG1' HG22 ' A' ' 2' ' ' THR . 52.8 m -123.78 129.61 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.545 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.79 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.53 161.45 8.73 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -46.66 -46.12 18.5 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.791 2.327 . . . . 0.0 112.109 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -92.42 5.62 50.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.515 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.79 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 5.2 pm0 -36.18 -37.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 20.3 pt-20 -63.85 -49.84 71.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 55.9 tt0 -56.4 -53.45 57.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 34' ' ' VAL . . . -53.74 -49.82 67.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.219 ' O ' HG23 ' A' ' 80' ' ' ILE . 56.7 tp -64.51 -44.6 90.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.9 ' O ' HG12 ' A' ' 80' ' ' ILE . . . -61.9 -42.74 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.43 98.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.96 -43.16 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.631 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.219 HG23 ' O ' ' A' ' 76' ' ' LEU . 5.3 pt -64.0 -41.33 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.553 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.505 ' N ' ' CG1' ' A' ' 80' ' ' ILE . . . -63.85 -36.6 84.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -35.56 66.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.573 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.9 m-85 -71.72 -32.74 68.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 85' ' ' SER . 86.5 m-20 -82.53 -3.33 55.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.593 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 84' ' ' ASN . 9.4 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 4.3 mp -113.97 128.24 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -84.08 108.85 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.528 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -110.77 159.92 17.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.3 116.46 57.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.79 110.75 3.09 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.791 2.327 . . . . 0.0 112.185 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -86.41 -33.01 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.527 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.28 115.17 3.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.6 156.05 1.25 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.855 2.37 . . . . 0.0 112.144 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 179' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 123.33 164.72 12.13 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.2 m -120.95 133.5 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.544 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -124.0 131.98 53.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 182' ' ' ILE . . . . . 0.633 HD13 ' N ' ' B' ' 182' ' ' ILE . 0.0 OUTLIER -124.45 121.28 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.456 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.438 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 177.71 177.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -84.19 168.87 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.584 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.52 149.66 19.18 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -149.66 154.31 38.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.57 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.25 135.25 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.603 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.654 ' CG ' ' H ' ' B' ' 190' ' ' THR . 0.0 OUTLIER -65.65 178.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.62 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.541 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -53.97 -2.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 190' ' ' THR . . . . . 0.654 ' H ' ' CG ' ' B' ' 188' ' ' ASP . 0.0 OUTLIER -28.36 106.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 191' ' ' LEU . . . . . 0.745 ' O ' ' N ' ' B' ' 193' ' ' LEU . 10.3 mt -141.29 124.63 9.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.569 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.702 ' O ' ' N ' ' B' ' 194' ' ' MET . 52.5 Cg_exo -47.62 66.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.795 2.33 . . . . 0.0 112.183 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.745 ' N ' ' O ' ' B' ' 191' ' ' LEU . 0.4 OUTLIER -36.77 -19.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.684 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 194' ' ' MET . . . . . 0.702 ' N ' ' O ' ' B' ' 192' ' ' PRO . 35.2 mtm -73.55 -42.05 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 195' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' B' ' 192' ' ' PRO . 3.5 pt-20 -92.58 -8.12 45.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 196' ' ' GLN . . . . . 0.404 ' HB2' ' HA ' ' B' ' 193' ' ' LEU . 0.1 OUTLIER -70.13 8.1 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.526 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 197' ' ' VAL . 20.0 m -119.93 119.52 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 198' ' ' TYR . . . . . 0.546 ' O ' ' CD1' ' B' ' 198' ' ' TYR . 14.1 p90 -164.16 94.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -138.38 -179.15 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -68.66 -172.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.576 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 58.2 m -119.37 102.21 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 202' ' ' THR . . . . . 0.421 ' O ' HG23 ' B' ' 202' ' ' THR . 5.7 t -161.04 127.49 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.38 127.06 34.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.795 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 11.1 p-10 -153.93 98.0 2.63 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.547 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 34.6 Cg_endo -67.9 -37.22 15.98 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.745 2.297 . . . . 0.0 112.055 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.35 89.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.496 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.8 -37.9 12.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.455 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.795 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 67.0 mm-40 -70.9 -58.66 3.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 209' ' ' ARG . . . . . 0.684 HH22 HH22 ' B' ' 256' ' ' ARG . 0.0 OUTLIER -52.79 -48.99 66.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.487 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 210' ' ' GLU . . . . . 0.494 ' O ' HG22 ' B' ' 213' ' ' THR . 82.8 tt0 -62.33 -36.37 81.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.498 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.673 ' CB ' HH21 ' B' ' 211' ' ' ARG . 0.0 OUTLIER -59.1 -39.86 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.475 ' O ' HD23 ' B' ' 216' ' ' LEU . 19.4 tp -66.51 -59.93 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.488 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 213' ' ' THR . . . . . 0.604 ' CG2' ' N ' ' B' ' 214' ' ' GLY . 0.6 OUTLIER -47.66 -46.53 29.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 214' ' ' GLY . . . . . 0.604 ' N ' ' CG2' ' B' ' 213' ' ' THR . . . -66.12 -36.45 91.9 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.64 -41.9 68.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.544 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' B' ' 220' ' ' ALA . 3.0 mm? -59.69 -44.89 93.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 63.4 mm-40 -59.34 -34.62 72.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -77.1 -30.85 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.444 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -93.79 -48.5 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.705 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -57.3 -49.75 75.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 88.7 m-20 -64.65 -31.88 73.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.66 ' HG2' ' CE1' ' B' ' 226' ' ' TYR . 1.0 OUTLIER -78.65 -26.47 45.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 223' ' ' PHE . . . . . 0.576 ' CE2' ' CE2' ' B' ' 242' ' ' PHE . 0.2 OUTLIER -77.88 -36.36 49.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.491 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 224' ' ' ARG . . . . . 0.585 ' CZ ' HH22 ' B' ' 225' ' ' ARG . 53.2 mtp180 -72.68 -45.06 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 225' ' ' ARG . . . . . 0.585 HH22 ' CZ ' ' B' ' 224' ' ' ARG . 3.0 mpt_? -74.33 -22.43 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.66 ' CE1' ' HG2' ' B' ' 222' ' ' GLU . 2.0 m-85 -72.37 -52.29 16.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 227' ' ' SER . . . . . 0.741 ' HB3' ' CD2' ' B' ' 242' ' ' PHE . 9.8 p -73.29 -34.58 65.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.52 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 228' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' B' ' 224' ' ' ARG . 3.8 mtpp -58.15 -53.22 60.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 229' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' B' ' 226' ' ' TYR . 8.5 ptm180 -67.17 -38.0 84.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.543 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' B' ' 234' ' ' ALA . 0.6 OUTLIER -58.29 -47.17 84.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.63 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 231' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -53.58 -37.09 62.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.445 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.11 -20.3 16.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.518 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -125.25 -53.54 0.17 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -65.46 -166.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.63 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.654 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 2.6 tt0 -88.66 163.6 15.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 236' ' ' LYS . . . . . 0.654 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 3.8 tttt -64.16 -22.22 66.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -54.14 -44.56 71.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.411 ' O ' HG22 ' B' ' 241' ' ' ILE . 26.9 m -57.04 -57.91 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 239' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -56.4 -43.6 79.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.437 ' CB ' ' NH1' ' A' ' 18' ' ' ARG . . . -59.15 -45.8 90.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.553 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.698 ' CG2' ' N ' ' B' ' 242' ' ' PHE . 1.6 tp -72.32 -53.32 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.741 ' CD2' ' HB3' ' B' ' 227' ' ' SER . 0.4 OUTLIER -59.88 -57.76 11.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' B' ' 239' ' ' ALA . 33.8 t70 -40.19 -35.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.421 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -43.44 61.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.609 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.543 ' CZ ' ' CB ' ' B' ' 297' ' ' ASP . 32.1 m-85 -65.78 -46.74 77.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 70.4 p -50.16 -42.12 50.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.477 ' CE1' HE22 ' A' ' 28' ' ' GLN . 1.8 t-80 -75.64 -28.75 58.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' B' ' 248' ' ' LEU . 0.2 OUTLIER -78.53 -50.39 11.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.615 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.634 HD11 HD11 ' B' ' 305' ' ' LEU . 40.1 tp -57.13 -47.72 80.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 250' ' ' SER . . . . . 0.575 ' O ' ' NH2' ' B' ' 255' ' ' ARG . 98.9 p -78.56 -9.01 59.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.586 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' B' ' 253' ' ' ARG . 67.7 t0 -48.03 121.99 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.606 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 252' ' ' THR . . . . . 0.598 HG22 ' NH1' ' B' ' 255' ' ' ARG . 72.0 p -53.14 -5.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.505 ' H ' ' C ' ' B' ' 251' ' ' ASP . 13.1 ttp180 -80.25 -49.71 11.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.44 -44.98 96.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.598 ' NH1' HG22 ' B' ' 252' ' ' THR . 89.1 mtm-85 -59.52 -44.83 93.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 256' ' ' ARG . . . . . 0.684 HH22 HH22 ' B' ' 209' ' ' ARG . 0.0 OUTLIER -58.37 -38.85 78.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.07 -49.41 77.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.754 HD11 HG21 ' B' ' 275' ' ' VAL . 5.5 mp -61.22 -49.11 78.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.678 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.09 -35.52 73.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.573 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.81 98.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -67.06 -42.16 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.53 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 58.8 t -66.87 -35.42 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.452 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.41 -17.73 14.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.519 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -90.67 -20.23 22.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.608 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 121.17 24.83 2.37 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 44.4 t -104.11 162.67 12.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.852 0.358 . . . . 0.0 110.568 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 267' ' ' VAL . . . . . 0.434 HG12 ' HG2' ' B' ' 269' ' ' GLU . 2.2 t -95.19 144.0 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.565 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' B' ' 271' ' ' ALA . . . -57.67 -54.8 42.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.675 ' CD ' ' H ' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -34.18 -57.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.473 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 270' ' ' TRP . . . . . 0.505 ' O ' ' HG3' ' B' ' 273' ' ' LYS . 32.4 m0 -69.67 -29.9 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.537 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.938 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -70.8 -36.25 72.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.573 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.532 ' HA ' HD21 ' B' ' 258' ' ' LEU . 49.7 t -60.75 -43.08 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.571 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.513 ' HB2' ' HZ2' ' B' ' 273' ' ' LYS . 0.0 OUTLIER -80.03 -39.34 30.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 99.1 m -60.28 -54.21 48.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.604 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.938 HG22 ' O ' ' B' ' 271' ' ' ALA . 35.2 m -59.16 -42.94 88.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.596 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.515 ' N ' HG23 ' B' ' 275' ' ' VAL . 0.9 OUTLIER -67.48 -46.01 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.532 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 73.8 mm-40 -65.62 -40.53 92.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 278' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' B' ' 282' ' ' GLN . 0.0 OUTLIER -63.22 -36.62 84.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -83.11 -13.37 55.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 280' ' ' ALA . . . . . 0.702 ' O ' ' HB3' ' B' ' 284' ' ' ALA . . . -71.29 -37.72 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.618 ' O ' ' HB2' ' B' ' 285' ' ' ALA . 6.6 pm0 -96.83 -28.62 14.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 282' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' B' ' 278' ' ' LYS . 18.6 tt0 -61.18 -51.68 67.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -82.74 -30.24 29.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.596 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 284' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' B' ' 280' ' ' ALA . . . -81.65 2.32 30.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 285' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' B' ' 281' ' ' GLU . . . -80.42 -2.64 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.431 ' O ' ' NZ ' ' B' ' 292' ' ' LYS . 2.0 mm? -76.78 -172.76 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.48 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 78.4 p -109.88 -25.23 10.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.603 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.625 ' OD2' ' OD1' ' A' ' 56' ' ' ASP . 52.4 t0 -64.19 122.81 17.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.576 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -73.97 -29.42 61.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 290' ' ' TYR . . . . . 0.649 ' CE2' ' NE2' ' A' ' 16' ' ' HIS . 18.2 t80 -51.22 -42.83 61.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.583 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.914 HD11 ' OD2' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -93.55 -54.32 3.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.496 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' B' ' 284' ' ' ALA . 17.6 ttmm -39.29 -40.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.32 -38.68 90.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' B' ' 291' ' ' LEU . 1.0 OUTLIER -46.58 -24.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.534 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -41.03 -49.28 3.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -49.76 -43.18 38.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.543 ' CB ' ' CZ ' ' B' ' 245' ' ' TYR . 54.5 m-20 -65.3 -44.91 86.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.756 0.312 . . . . 0.0 110.448 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.91 -49.9 74.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.448 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 47.3 mtt85 -56.1 -38.51 70.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.457 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -60.19 -41.02 92.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.291 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.436 HD22 HD22 ' B' ' 249' ' ' LEU . 71.6 mt -58.26 -44.54 88.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.68 98.87 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -65.02 -37.49 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.393 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.488 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 5.1 mmm180 -71.09 -40.63 71.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.355 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 305' ' ' LEU . . . . . 0.634 HD11 HD11 ' B' ' 249' ' ' LEU . 43.6 mt -59.92 -42.3 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.316 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 306' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' B' ' 306' ' ' LEU . 0.1 OUTLIER -63.73 -39.39 94.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.79 -46.94 79.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.441 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -75.93 -21.78 56.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.432 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 0.8 OUTLIER -83.61 -15.3 49.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.455 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' B' ' 313' ' ' ASN . 5.2 t70 -129.01 90.42 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.588 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -65.53 -8.74 21.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.654 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -94.7 9.3 39.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' B' ' 310' ' ' ASP . 0.8 OUTLIER -63.48 -156.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.514 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -86.88 -179.06 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -55.57 159.48 6.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 316' ' ' PRO . . . . . 0.452 ' O ' ' CG ' ' B' ' 317' ' ' ASN . 52.6 Cg_endo -73.2 -60.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.863 2.375 . . . . 0.0 112.123 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 317' ' ' ASN . . . . . 0.513 ' O ' ' HB3' ' B' ' 318' ' ' ALA . 61.0 m-20 -170.31 -26.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 318' ' ' ALA . . . . . 1.193 ' O ' ' HD3' ' B' ' 320' ' ' PRO . . . 69.34 145.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.49 88.73 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 1.193 ' HD3' ' O ' ' B' ' 318' ' ' ALA . 43.3 Cg_endo -71.25 143.13 43.05 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.764 2.309 . . . . 0.0 112.195 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -103.71 -54.69 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.602 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 15.9 ptt180 -168.08 127.8 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 90.9 m-85 -155.67 167.1 31.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.61 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.438 HG13 ' HB3' ' B' ' 183' ' ' ALA . 34.1 mt -114.72 143.17 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.63 ' CD1' HH11 ' B' ' 342' ' ' ARG . 1.2 mp -81.93 114.75 20.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 11.7 t -121.25 89.93 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -132.29 154.06 50.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.574 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 328' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 14.7 p-10 -67.4 -30.9 70.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -134.8 120.67 19.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.9 tp -103.64 131.66 50.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.5 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 4.2 m -144.06 160.62 40.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -51.2 -38.74 54.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.615 HG23 ' N ' ' B' ' 334' ' ' THR . 10.2 t -53.09 -47.21 68.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 334' ' ' THR . . . . . 0.615 ' N ' HG23 ' B' ' 333' ' ' THR . 89.6 m -60.47 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.513 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -42.96 84.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -64.23 -3.23 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.642 ' C ' HD22 ' B' ' 338' ' ' LEU . 31.5 tt0 -97.43 -40.48 8.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.702 HD22 ' N ' ' B' ' 338' ' ' LEU . 3.7 mm? -103.82 146.58 32.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.483 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 339' ' ' PRO . . . . . 0.579 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 51.3 Cg_endo -72.97 138.41 28.33 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.777 2.318 . . . . 0.0 112.187 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -28.3 70.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.786 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 15.5 p30 -60.51 -43.93 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.592 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.786 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 0.1 OUTLIER -77.35 -18.95 56.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.589 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.494 ' N ' ' HG3' ' B' ' 342' ' ' ARG . 3.9 tp -72.53 115.85 12.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.526 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.594 ' O ' HG12 ' B' ' 344' ' ' VAL . 46.9 t -114.86 1.47 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 171.76 169.33 34.46 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 62.0 t -139.79 139.05 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 98.6 t -137.26 124.2 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.481 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' B' ' 370' ' ' MET . 3.4 t -123.69 148.67 27.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -85.44 -38.21 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.498 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' B' ' 350' ' ' ASP . 1.1 p30 -166.69 115.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.552 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.901 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . 154.78 -71.73 0.27 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 352' ' ' ALA . . . . . 0.901 ' O ' ' O ' ' B' ' 351' ' ' GLY . . . -32.08 179.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.363 . . . . 0.0 110.507 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 80.07 -45.69 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.553 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -131.74 36.74 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 1.1 m -120.01 148.49 43.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 356' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 14.8 pt20 -48.71 -43.77 37.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 357' ' ' ALA . . . . . 0.6 ' O ' HG22 ' B' ' 361' ' ' VAL . . . -67.85 -39.05 83.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 358' ' ' ALA . . . . . 0.416 ' HB2' ' HA ' ' B' ' 352' ' ' ALA . . . -53.07 -40.02 63.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 73.0 mt -70.94 -30.81 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 360' ' ' MET . . . . . 0.536 ' O ' HD13 ' B' ' 364' ' ' LEU . 3.2 tmm? -69.5 -51.95 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.6 HG22 ' O ' ' B' ' 357' ' ' ALA . 5.5 m -64.88 -46.77 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.485 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.43 ' N ' HG23 ' B' ' 361' ' ' VAL . 8.0 ttp180 -59.16 -47.45 85.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.549 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.87 -22.77 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.656 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 364' ' ' LEU . . . . . 0.536 HD13 ' O ' ' B' ' 360' ' ' MET . 1.7 mp -76.73 -24.8 53.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.552 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.08 24.19 23.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 366' ' ' ILE . . . . . 0.456 ' HA ' HD13 ' B' ' 366' ' ' ILE . 24.7 mm -101.77 123.75 42.88 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.66 126.19 12.18 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.706 2.271 . . . . 0.0 112.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 93.4 m -138.19 139.92 39.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 72.3 t -143.43 145.33 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.564 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 19.0 ptm -136.17 168.3 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 111.25 2.9 27.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -70.85 113.02 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.483 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -102.68 33.3 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 6.4 tp -116.51 141.17 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 3.5 mp0 -67.98 116.51 39.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.458 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 376' ' ' PRO . . . . . 0.527 ' HA ' HD23 ' B' ' 379' ' ' LEU . 52.1 Cg_exo -47.69 -17.39 0.69 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.822 2.348 . . . . 0.0 112.2 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 30.5 t -55.7 -46.1 77.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.474 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 65.5 t -60.21 -41.08 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.831 ' N ' HD22 ' B' ' 379' ' ' LEU . 2.3 mm? -73.19 -43.7 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.584 ' O ' ' O ' ' B' ' 185' ' ' GLY . 4.4 t60 36.94 -90.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.483 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' B' ' 379' ' ' LEU . 4.9 ptm180 -127.53 25.67 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.508 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 382' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.8 OUTLIER -78.1 170.62 16.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.5 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 383' ' ' THR . . . . . 0.488 ' OG1' ' HB3' ' B' ' 396' ' ' ASP . 7.2 p -74.04 129.91 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.603 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 384' ' ' LEU . 30.7 mt -118.01 135.04 54.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.485 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 86.9 mt -124.95 94.53 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.728 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.89 146.05 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.8 t0 -133.77 79.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.637 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 388' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -47.22 -44.89 20.79 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -45.55 -47.67 14.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.604 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.4 7.35 22.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 44.12 52.21 7.08 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -120.05 152.91 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.565 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 6.0 tt -128.62 120.5 26.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.552 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 3.6 mp -117.03 160.21 21.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.617 ' O ' ' C ' ' B' ' 396' ' ' ASP . 62.9 t -121.87 108.53 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' B' ' 395' ' ' VAL . 2.1 p30 19.22 57.09 0.2 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.494 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.594 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.5 Cg_endo -71.45 175.3 9.62 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.868 2.379 . . . . 0.0 112.207 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -40.68 136.13 1.51 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.16 -24.23 20.39 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.787 2.325 . . . . 0.0 112.132 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 400' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' B' ' 404' ' ' GLU . 87.7 t -72.82 -49.33 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.644 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.4 -40.64 68.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.589 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -29.63 65.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 403' ' ' GLN . . . . . 0.402 ' HB3' ' OE2' ' B' ' 404' ' ' GLU . 46.9 tp60 -61.49 -50.1 74.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.525 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 404' ' ' GLU . . . . . 0.618 ' CD ' HH11 ' B' ' 407' ' ' ARG . 0.6 OUTLIER -69.46 -40.28 77.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -52.33 -52.0 55.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.77 -41.65 82.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.618 HH11 ' CD ' ' B' ' 404' ' ' GLU . 85.5 mtm180 -71.58 -32.5 68.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.06 -43.86 90.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.612 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.51 -44.29 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 82.1 p -66.56 -27.81 68.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.689 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.84 -10.11 8.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.567 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 412' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 59.47 31.77 21.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.603 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 0.942 HG22 ' O ' ' B' ' 413' ' ' ILE . 80.8 mt -102.21 40.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.522 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 0.436 ' C ' HD22 ' B' ' 415' ' ' LEU . 34.4 mt-10 -145.13 -147.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.641 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 415' ' ' LEU . . . . . 0.574 HD12 ' H ' ' B' ' 421' ' ' ASP . 4.2 mm? -106.93 -9.35 16.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 28.7 t -75.74 58.53 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -121.03 -111.51 0.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 48.1 mt -102.04 48.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . 48.82 57.33 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 420' ' ' GLU . . . . . 0.691 ' O ' ' C ' ' B' ' 421' ' ' ASP . 6.5 tt0 -69.97 -66.68 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 421' ' ' ASP . . . . . 0.691 ' C ' ' O ' ' B' ' 420' ' ' GLU . 0.0 OUTLIER 2.33 98.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.579 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.51 ' O ' ' O ' ' B' ' 423' ' ' VAL . 0.2 OUTLIER -143.93 58.1 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 423' ' ' VAL . . . . . 0.51 ' O ' ' O ' ' B' ' 422' ' ' ASP . 48.9 t 39.75 97.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.514 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.62 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ptm . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 3' ' ' VAL . 4.2 m -82.42 159.59 22.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.572 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.624 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -133.54 118.39 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.511 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 4.1 pttt -125.4 172.23 9.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -160.6 135.59 7.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.431 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 127.32 33.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.7 p -128.68 125.99 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -81.52 127.28 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.3 mm -89.77 104.95 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 p -83.1 59.16 4.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 61.33 23.45 13.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' HZ2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.98 103.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -66.81 -2.86 5.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.512 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.92 -96.78 0.17 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.57 ' O ' ' N ' ' A' ' 17' ' ' ALA . 31.9 mtt -136.31 104.31 5.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.65 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 49.61 -84.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.529 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.785 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . -157.49 5.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.444 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.893 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -57.09 -35.31 34.02 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.678 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.893 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 30.4 Cg_endo -66.5 -39.65 15.94 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.701 2.267 . . . . 0.0 112.049 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.583 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -72.72 -36.49 67.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.811 ' SD ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -75.81 -39.69 56.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.456 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -62.18 -37.2 84.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.866 HD22 HG11 ' A' ' 34' ' ' VAL . 2.3 mt -49.65 -44.17 47.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.664 ' CZ ' ' CE1' ' B' ' 247' ' ' HIS . 0.7 OUTLIER -58.06 -37.98 75.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.576 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.52 -33.49 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.621 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.928 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 1.4 mm? -69.95 -39.9 75.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.687 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.819 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 5.4 ttt -60.66 -27.54 67.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -86.52 -28.01 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.03 -23.05 39.48 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.928 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.7 p90 -120.46 136.2 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.757 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 65.7 t0 -77.57 111.56 13.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.503 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.776 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 153.83 147.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -98.36 129.55 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.575 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.866 HG11 HD22 ' A' ' 23' ' ' LEU . 7.6 p -106.26 134.81 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.476 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' C ' HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -135.9 135.62 39.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.9 mm? -105.94 151.69 24.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.499 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -149.36 133.62 17.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 1.2 m-20 -89.91 156.83 18.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.13 -29.11 29.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -65.98 -11.39 47.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.529 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.88 11.18 59.24 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.5 m -84.02 117.55 23.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 110.63 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -78.25 103.39 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.646 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.41 65.47 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.615 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' A' ' 43' ' ' GLU . 91.4 mt-10 -40.94 121.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.658 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . . . -62.77 -9.69 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.546 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 0.5 OUTLIER -99.98 27.4 5.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.64 123.07 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.659 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.619 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 98.5 t -63.56 -35.54 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 tt -61.79 -35.78 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.646 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.04 -41.78 85.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.56 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.69 -39.84 81.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.543 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.712 ' HB3' HD22 ' B' ' 286' ' ' LEU . 0.4 OUTLIER -64.04 -36.21 83.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.1 tpp -67.84 -36.78 80.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.607 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 14.8 mt -63.8 -35.17 79.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.3 -34.69 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -76.69 -6.44 52.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.84 27.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -67.83 97.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.21 5.22 40.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -105.82 164.45 11.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -98.25 142.94 29.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.605 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.32 161.52 40.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.538 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.627 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 4.5 tm-20 -123.21 103.02 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.533 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.49 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.3 m -82.38 127.51 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 2.4 pt-20 -119.56 138.42 53.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.557 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.16 130.7 31.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.48 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.0 m -123.84 129.64 51.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.634 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.75 161.03 8.56 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -46.5 -45.96 18.32 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.845 2.364 . . . . 0.0 112.088 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' GLU . 60.0 mt-30 -92.77 6.33 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.634 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -36.37 -37.93 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.603 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.608 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 7.2 tp10 -63.5 -50.27 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.6 tm-20 -55.64 -52.8 62.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.593 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.401 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -54.55 -49.95 69.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.774 ' O ' HD12 ' A' ' 76' ' ' LEU . 2.3 tp -64.24 -44.28 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.91 99.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.601 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.49 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.423 ' CG2' HD21 ' A' ' 23' ' ' LEU . 58.5 t -66.94 -41.92 88.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -64.82 -41.1 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.605 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.499 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -64.22 -37.06 86.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.482 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 19' ' ' PRO . 5.2 mp -72.52 -36.94 68.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.544 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -69.95 -32.91 71.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.628 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 85' ' ' SER . 60.8 m-80 -82.51 -3.6 56.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 170' ' ' ARG . . . . . 0.544 ' C ' HD12 ' B' ' 171' ' ' ILE . 43.0 ttp180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 171' ' ' ILE . . . . . 0.544 HD12 ' C ' ' B' ' 170' ' ' ARG . 1.7 mp -110.45 134.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.5 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.532 ' CZ ' ' OE2' ' B' ' 392' ' ' GLU . 9.8 mmt180 -68.46 134.86 50.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -146.08 143.7 29.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.539 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 8.4 mp -80.48 118.55 72.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -72.51 106.41 2.08 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.786 2.324 . . . . 0.0 112.141 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -82.97 -27.41 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' B' ' 366' ' ' ILE . . . -147.01 106.29 3.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.574 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.34 134.64 20.14 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.873 2.382 . . . . 0.0 112.138 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 143.53 165.91 11.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 4.9 m -121.42 139.37 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -144.43 142.13 30.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 3.3 mp -126.55 126.76 69.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -173.77 171.14 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -82.74 162.66 21.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -83.76 130.96 10.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -127.84 132.85 49.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.741 0.305 . . . . 0.0 110.541 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -73.67 136.35 43.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.606 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.641 ' C ' ' H ' ' B' ' 190' ' ' THR . 16.7 t70 -65.54 150.1 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -64.09 15.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.598 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 190' ' ' THR . . . . . 0.641 ' H ' ' C ' ' B' ' 188' ' ' ASP . 78.7 m -105.26 117.75 34.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 191' ' ' LEU . . . . . 0.529 ' HB3' ' HD2' ' B' ' 192' ' ' PRO . 85.0 mt -138.18 161.27 60.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.618 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' B' ' 191' ' ' LEU . 51.2 Cg_endo -72.92 114.14 3.96 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.89 2.393 . . . . 0.0 112.097 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 2.2 pp -100.06 8.13 44.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 4.3 mmt -71.4 -26.45 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -102.59 -19.6 14.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.588 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -24.18 38.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.521 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 197' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.63 152.91 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 198' ' ' TYR . . . . . 0.449 ' HD2' ' H ' ' B' ' 198' ' ' TYR . 1.1 p90 -118.24 168.46 10.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.588 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -116.62 145.04 43.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.609 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -168.55 142.92 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 40.1 t -110.87 100.24 9.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 202' ' ' THR . . . . . 0.4 HG23 ' O ' ' B' ' 202' ' ' THR . 1.3 t -159.39 110.65 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 0.539 HD12 ' H ' ' B' ' 203' ' ' LEU . 0.5 OUTLIER -59.64 125.01 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.629 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.813 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 61.3 m-20 -156.87 68.38 4.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.603 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.62 ' O ' ' N ' ' B' ' 209' ' ' ARG . 45.8 Cg_endo -72.06 -50.92 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.802 2.335 . . . . 0.0 112.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -50.65 -49.55 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.502 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 20.1 mt -80.03 -37.37 34.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.813 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 73.4 mm-40 -75.21 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.569 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 209' ' ' ARG . . . . . 0.62 ' N ' ' O ' ' B' ' 205' ' ' PRO . 0.0 OUTLIER -44.66 -52.46 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.475 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.08 -39.19 85.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.489 ' CZ ' HD12 ' B' ' 309' ' ' LEU . 0.0 OUTLIER -53.63 -38.04 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' B' ' 212' ' ' LEU . 90.8 mt -68.06 -53.85 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 27.3 m -54.56 -53.58 52.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.51 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.9 -36.55 88.13 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.52 -41.54 65.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 110.491 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.659 ' O ' ' N ' ' B' ' 220' ' ' ALA . 2.4 tt -55.48 -53.45 56.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 79.6 mm-40 -52.57 -34.74 51.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.501 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 218' ' ' GLU . . . . . 0.468 ' CD ' ' O ' ' B' ' 218' ' ' GLU . 0.5 OUTLIER -76.24 -35.34 59.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.18 -51.09 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.659 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.95 -50.68 70.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.459 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 97.1 m-20 -62.19 -36.38 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.586 ' CD ' HH11 ' B' ' 304' ' ' ARG . 3.0 tt0 -68.37 -40.01 81.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -70.25 -47.66 60.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 224' ' ' ARG . . . . . 0.431 ' HD2' HH21 ' B' ' 224' ' ' ARG . 34.4 ttm105 -59.1 -43.2 91.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.465 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 225' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' B' ' 221' ' ' ASN . 6.6 mpt_? -69.7 -34.69 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -49.27 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 227' ' ' SER . . . . . 0.723 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 5.8 p -70.43 -49.59 47.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.549 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -44.62 -29.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.553 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 229' ' ' ARG . . . . . 0.403 HH21 ' HD3' ' B' ' 229' ' ' ARG . 0.9 OUTLIER -81.13 -39.37 25.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.47 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' B' ' 233' ' ' GLY . 3.0 m-85 -56.15 -40.18 73.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.589 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -45.27 -35.41 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -69.34 -23.21 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 233' ' ' GLY . . . . . 1.021 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -126.79 -101.66 1.19 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 1.021 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -6.21 -133.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.474 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.681 ' NE2' HG23 ' B' ' 238' ' ' THR . 0.0 OUTLIER -130.47 -166.44 1.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.48 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -82.45 -36.39 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' B' ' 241' ' ' ILE . 12.4 tm-20 -67.12 -46.96 72.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.681 HG23 ' NE2' ' B' ' 235' ' ' GLN . 6.1 p -58.25 -39.01 78.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.65 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -82.97 -34.39 26.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.499 ' O ' HD12 ' B' ' 244' ' ' LEU . . . -76.58 -30.85 57.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.536 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.903 HG23 ' N ' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -68.82 -65.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.591 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.903 ' N ' HG23 ' B' ' 241' ' ' ILE . 27.9 m-85 -54.62 -67.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' B' ' 242' ' ' PHE . 21.8 t70 -32.17 -53.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.534 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 21' ' ' MET . 88.7 mt -68.05 -34.78 77.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.551 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.62 ' N ' ' O ' ' B' ' 242' ' ' PHE . 6.5 t80 -65.7 -37.08 85.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 64.3 m -49.4 -39.64 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.64 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.664 ' CE1' ' CZ ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -61.2 -33.93 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.628 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 1.074 HD23 ' N ' ' B' ' 249' ' ' LEU . 0.1 OUTLIER -57.11 -41.51 79.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.68 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 1.074 ' N ' HD23 ' B' ' 248' ' ' LEU . 16.4 tp -75.69 -39.09 58.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 250' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' B' ' 247' ' ' HIS . 95.6 p -68.93 -19.55 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.835 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 42.1 p-10 -50.21 120.0 4.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 252' ' ' THR . . . . . 0.405 ' H ' HG23 ' B' ' 252' ' ' THR . 26.7 p -52.42 3.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.591 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.704 ' H ' ' C ' ' B' ' 251' ' ' ASP . 0.1 OUTLIER -77.06 -54.52 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 23.8 mt -66.57 -37.04 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.602 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.515 ' NH1' ' CD1' ' B' ' 258' ' ' LEU . 0.0 OUTLIER -59.27 -46.08 89.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 256' ' ' ARG . . . . . 0.619 ' HE ' ' HA ' ' B' ' 256' ' ' ARG . 3.0 mmp_? -66.58 -40.48 88.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.67 -53.53 30.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.673 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.575 HD22 HG12 ' B' ' 272' ' ' VAL . 1.1 mt -62.22 -47.55 83.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.672 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 259' ' ' PHE . . . . . 0.587 ' CD2' ' NH1' ' B' ' 256' ' ' ARG . 12.1 t80 -61.76 -35.13 77.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.693 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.52 98.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.697 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.52 -40.88 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 83.7 t -70.08 -35.31 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.24 -14.3 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -96.63 -17.5 20.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 123.71 16.49 3.35 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 46.7 t -92.45 160.83 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.502 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 11.6 t -100.06 148.82 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.473 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -57.34 -45.21 84.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.524 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.62 -44.83 9.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.439 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.85 -39.52 16.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.533 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.522 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -53.55 -45.86 70.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.605 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.693 ' O ' HG23 ' B' ' 276' ' ' ILE . 21.6 m -65.22 -37.12 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.582 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.431 ' N ' HG23 ' B' ' 272' ' ' VAL . 59.5 tttt -68.99 -41.8 77.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 40.5 p -73.18 -50.36 22.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 271' ' ' ALA . 49.4 t -50.21 -59.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.693 HG23 ' O ' ' B' ' 272' ' ' VAL . 26.9 pt -54.99 -38.73 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.613 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.477 ' N ' HG13 ' B' ' 276' ' ' ILE . 31.8 tt0 -68.63 -39.79 80.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.665 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -69.87 -37.48 76.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 279' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 1.5 m-85 -75.12 -35.37 61.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.519 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.16 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.461 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' B' ' 281' ' ' GLU . 0.0 OUTLIER -69.96 -55.55 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.14 -41.51 99.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 279' ' ' PHE . 3.2 m-85 -64.98 -46.29 82.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.603 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.43 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -56.28 -20.58 19.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 53' ' ' LEU . 23.4 tp -51.9 154.06 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.436 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 287' ' ' SER . . . . . 0.587 ' N ' ' HG ' ' B' ' 286' ' ' LEU . 66.6 m -94.83 -41.83 9.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.705 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 0.3 OUTLIER -60.22 122.71 15.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.611 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -74.07 -27.49 60.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -59.02 -31.81 69.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.658 HD12 HD22 ' A' ' 53' ' ' LEU . 1.3 mm? -117.15 -40.69 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.538 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.707 ' N ' HD23 ' B' ' 286' ' ' LEU . 9.0 tttp -50.64 -46.74 58.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -40.87 69.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.433 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' B' ' 297' ' ' ASP . 0.7 OUTLIER -52.54 -27.67 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -44.59 -44.38 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.479 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -52.21 -38.98 49.92 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.59 ' HB2' ' O ' ' B' ' 294' ' ' ARG . 0.1 OUTLIER -53.27 -42.16 66.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 0.0 110.421 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -49.24 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.414 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -43.18 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.337 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.592 ' HB3' HG21 ' B' ' 333' ' ' THR . . . -58.1 -41.89 84.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.309 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -38.2 90.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.42 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -57.35 -48.25 81.91 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 303' ' ' GLN . . . . . 0.758 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -52.86 -39.94 63.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 0.0 110.501 179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.758 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 10.3 mtp180 -69.11 -39.83 78.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.41 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 305' ' ' LEU . . . . . 0.436 ' O ' HD23 ' B' ' 309' ' ' LEU . 1.0 OUTLIER -64.33 -44.41 91.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.351 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.77 -38.43 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.364 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 307' ' ' PHE . . . . . 0.486 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.0 m-85 -70.71 -42.95 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' B' ' 310' ' ' ASP . 37.2 m80 -71.3 -29.83 65.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.467 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.489 HD12 ' CZ ' ' B' ' 211' ' ' ARG . 0.3 OUTLIER -45.27 -19.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.487 ' C ' ' N ' ' B' ' 312' ' ' ALA . 0.1 OUTLIER -122.24 115.52 22.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.533 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -48.18 -12.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.756 ' O ' ' O ' ' B' ' 313' ' ' ASN . . . -86.52 -13.89 44.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.611 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.756 ' O ' ' O ' ' B' ' 312' ' ' ALA . 0.0 OUTLIER -16.2 142.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 314' ' ' GLN . . . . . 0.677 ' O ' ' HD3' ' B' ' 316' ' ' PRO . 5.4 pm0 -166.39 164.95 17.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.585 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 315' ' ' GLY . . . . . 0.782 ' O ' ' N ' ' B' ' 317' ' ' ASN . . . -106.23 87.45 0.52 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 316' ' ' PRO . . . . . 0.677 ' HD3' ' O ' ' B' ' 314' ' ' GLN . 36.5 Cg_exo -53.47 44.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.797 2.331 . . . . 0.0 112.1 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 317' ' ' ASN . . . . . 0.782 ' N ' ' O ' ' B' ' 315' ' ' GLY . 21.4 p30 -146.65 -25.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.604 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 318' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' B' ' 317' ' ' ASN . . . 57.89 121.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -92.93 109.9 42.33 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -73.21 -169.41 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.852 2.368 . . . . 0.0 112.043 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 321' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' B' ' 321' ' ' GLU . 1.3 pm0 -65.9 -27.8 68.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.461 ' HB2' HG21 ' B' ' 344' ' ' VAL . 7.9 ptm180 -164.16 149.17 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.675 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 323' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -173.22 167.79 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.541 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.51 150.36 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.706 ' HB3' HG13 ' B' ' 346' ' ' VAL . 0.8 OUTLIER -89.58 113.95 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.553 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.644 HG22 ' CG2' ' B' ' 347' ' ' VAL . 23.1 t -114.72 102.31 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.629 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -139.23 148.98 43.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -29.72 70.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.515 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.77 135.98 35.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 1.111 HD23 ' H ' ' B' ' 330' ' ' LEU . 2.0 pt? -90.13 138.71 31.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 331' ' ' SER . . . . . 0.523 ' O ' ' OG1' ' B' ' 334' ' ' THR . 6.9 t -144.77 134.74 23.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.576 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.79 -38.13 66.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.592 HG21 ' HB3' ' B' ' 300' ' ' ALA . 0.9 OUTLIER -53.12 -47.83 68.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.529 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 334' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' B' ' 331' ' ' SER . 68.7 p -58.35 -48.47 80.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.433 HD11 HD22 ' B' ' 343' ' ' LEU . 0.4 OUTLIER -55.21 -41.91 72.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.615 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -75.98 8.88 2.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -106.77 -37.82 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.562 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.417 HD23 ' O ' ' B' ' 334' ' ' THR . 0.5 OUTLIER -106.71 132.35 20.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.633 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.62 124.9 10.24 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.773 2.316 . . . . 0.0 112.119 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.81 -23.25 66.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -37.18 86.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -82.13 -9.56 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' B' ' 343' ' ' LEU . 22.2 tp -77.21 116.98 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' B' ' 322' ' ' ARG . 2.5 t -116.43 18.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.519 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 345' ' ' GLY . . . . . 0.48 ' C ' HG23 ' B' ' 346' ' ' VAL . . . 151.36 177.73 25.45 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.706 HG13 ' HB3' ' B' ' 325' ' ' LEU . 35.7 t -155.69 144.34 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.697 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 347' ' ' VAL . . . . . 0.644 ' CG2' HG22 ' B' ' 326' ' ' VAL . 31.2 m -141.06 131.61 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.672 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 28.4 t -120.59 152.54 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.611 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 349' ' ' ARG . . . . . 0.608 ' NE ' ' O ' ' B' ' 372' ' ' ALA . 7.4 mmm-85 -92.36 -43.9 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -139.99 93.07 2.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -142.38 155.9 25.9 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -104.36 142.66 34.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.711 0.291 . . . . 0.0 110.599 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.2 10.87 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.55 9.42 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.594 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 355' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' B' ' 358' ' ' ALA . 89.7 p -74.94 169.3 18.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.704 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -62.41 -51.59 66.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.591 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 357' ' ' ALA . . . . . 0.948 ' O ' HG23 ' B' ' 361' ' ' VAL . . . -67.25 -36.85 82.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.553 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 358' ' ' ALA . . . . . 0.464 ' HB2' ' OG ' ' B' ' 355' ' ' SER . . . -59.74 -42.68 93.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.635 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 1.9 tt -68.67 -32.21 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.536 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -29.9 34.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.948 HG23 ' O ' ' B' ' 357' ' ' ALA . 91.4 t -66.65 -45.81 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.468 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.405 HH21 ' HD3' ' B' ' 362' ' ' ARG . 14.6 ttp-105 -65.55 -42.58 91.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.56 72.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.623 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 364' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 364' ' ' LEU . 13.7 tp -65.07 -34.0 77.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.32 13.0 56.69 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 366' ' ' ILE . . . . . 0.963 HG13 ' HD2' ' B' ' 367' ' ' PRO . 3.4 tp -90.44 143.91 30.02 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 367' ' ' PRO . . . . . 0.963 ' HD2' HG13 ' B' ' 366' ' ' ILE . 54.5 Cg_endo -73.51 127.41 11.74 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.872 2.382 . . . . 0.0 112.146 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 67.3 m -147.39 150.8 35.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.36 151.07 21.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.442 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 0.8 OUTLIER -133.18 164.25 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.486 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 105.43 0.38 40.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 372' ' ' ALA . . . . . 0.608 ' O ' ' NE ' ' B' ' 349' ' ' ARG . . . -67.52 117.95 10.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.754 0.311 . . . . 0.0 110.505 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.07 35.33 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.455 ' HB ' HD11 ' B' ' 379' ' ' LEU . 16.9 mm -104.76 129.43 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.568 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -70.76 116.0 41.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.468 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 376' ' ' PRO . . . . . 0.561 ' HD3' ' NH2' ' B' ' 349' ' ' ARG . 51.7 Cg_exo -47.9 -34.05 21.36 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.875 2.383 . . . . 0.0 112.102 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 43.7 t -51.28 -45.08 61.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 378' ' ' VAL . . . . . 0.739 ' O ' ' CD2' ' B' ' 380' ' ' HIS . 61.7 t -77.22 -29.62 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.633 ' O ' ' C ' ' B' ' 380' ' ' HIS . 86.3 mt -70.99 -16.91 62.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.868 ' ND1' ' N ' ' B' ' 381' ' ' ARG . 10.1 p80 18.69 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.868 ' N ' ' ND1' ' B' ' 380' ' ' HIS . 6.9 ptp180 -135.06 24.15 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 382' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.0 OUTLIER -60.88 159.32 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 31.7 m -77.18 131.35 38.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.555 HD21 HD22 ' B' ' 379' ' ' LEU . 95.8 mt -121.36 145.8 47.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 385' ' ' ILE . . . . . 0.742 HG23 ' O ' ' B' ' 385' ' ' ILE . 19.7 tt -142.08 106.89 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 2.5 m -100.61 156.45 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.404 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.648 ' O ' ' N ' ' B' ' 391' ' ' GLY . 64.6 t0 -140.64 83.65 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -44.12 -46.5 8.07 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -53.55 -44.76 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 390' ' ' ARG . . . . . 0.428 ' HB2' ' OD2' ' B' ' 387' ' ' ASP . 4.0 mtm180 -100.21 2.91 43.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 37.87 54.54 1.89 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 392' ' ' GLU . . . . . 0.532 ' OE2' ' CZ ' ' B' ' 172' ' ' ARG . 9.8 mm-40 -129.85 160.02 34.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.373 . . . . 0.0 110.599 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.94 116.14 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 1.9 mp -114.87 176.73 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.626 ' O ' ' C ' ' B' ' 396' ' ' ASP . 18.3 m -133.74 122.95 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' B' ' 395' ' ' VAL . 2.7 p30 19.31 56.05 0.18 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.528 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.925 ' O ' ' HD3' ' B' ' 399' ' ' PRO . 42.7 Cg_endo -70.92 173.06 12.58 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.869 2.379 . . . . 0.0 112.203 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -45.27 91.29 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 399' ' ' PRO . . . . . 0.925 ' HD3' ' O ' ' B' ' 397' ' ' PRO . 52.7 Cg_exo -47.6 -32.45 16.11 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.819 2.346 . . . . 0.0 112.193 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 400' ' ' VAL . . . . . 0.598 ' O ' ' HB2' ' B' ' 403' ' ' GLN . 98.2 t -70.45 -55.21 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 401' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' B' ' 401' ' ' LEU . 4.4 mm? -58.3 -58.7 7.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.58 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.03 -17.62 18.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.519 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 403' ' ' GLN . . . . . 0.598 ' HB2' ' O ' ' B' ' 400' ' ' VAL . 0.4 OUTLIER -63.76 -53.52 49.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 404' ' ' GLU . . . . . 0.666 ' O ' ' N ' ' B' ' 407' ' ' ARG . 2.5 tt0 -84.54 -49.01 8.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 405' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' B' ' 404' ' ' GLU . 0.1 OUTLIER -36.74 -41.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -75.1 -27.96 60.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.666 ' N ' ' O ' ' B' ' 404' ' ' GLU . 36.8 ttp180 -65.46 -47.3 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.601 ' O ' ' N ' ' B' ' 411' ' ' GLU . 0.0 OUTLIER -78.82 -53.72 6.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 409' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' B' ' 408' ' ' LEU . 2.8 mm -39.79 -33.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.622 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 87.1 p -91.85 -21.79 20.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.637 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 411' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' B' ' 408' ' ' LEU . 2.0 mm-40 -122.34 35.38 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.613 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' B' ' 408' ' ' LEU . 8.4 tt0 -122.5 -103.79 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.628 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 1.054 HG23 ' H ' ' B' ' 414' ' ' GLU . 2.5 tp -105.26 -119.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 1.054 ' H ' HG23 ' B' ' 413' ' ' ILE . 26.5 tt0 -153.34 -108.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 1.3 tp -125.54 15.49 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 65.1 m -92.34 32.85 1.14 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.644 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 417' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' B' ' 419' ' ' ALA . 52.8 ttp180 -134.57 -100.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.678 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 11.6 mt 56.98 6.5 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 419' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' B' ' 417' ' ' ARG . . . -89.09 -12.44 41.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 51.53 77.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.573 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 421' ' ' ASP . . . . . 0.416 ' O ' ' OXT' ' B' ' 424' ' ' ASN . 1.0 OUTLIER 47.56 53.91 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.532 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 421' ' ' ASP . 7.7 p-10 39.0 -134.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.44 -40.56 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.522 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 424' ' ' ASN . . . . . 0.416 ' OXT' ' O ' ' B' ' 421' ' ' ASP . 1.5 t30 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.628 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.608 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.444 ' O ' ' HG2' ' A' ' 1' ' ' MET . 9.3 t -82.67 159.33 22.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.649 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.512 ' O ' HD12 ' A' ' 76' ' ' LEU . 62.0 t -133.29 120.79 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.459 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.46 ' HA ' HD11 ' A' ' 76' ' ' LEU . 5.0 pttp -127.85 172.96 10.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -162.39 132.73 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.8 m -78.73 128.91 34.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.714 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.5 t -129.59 124.46 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.461 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -81.06 127.26 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -90.13 105.93 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.0 p -83.41 56.99 3.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 63.29 22.77 13.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HG3' ' H ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -163.94 103.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.53 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.665 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 1.6 tp -65.63 -4.61 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.456 ' H ' ' HG3' ' A' ' 12' ' ' LYS . . . 151.01 -71.19 0.3 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtt -169.26 103.99 0.37 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.807 0.337 . . . . 0.0 110.604 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 51.21 -104.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.21 -4.73 3.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.733 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 2.1 mpt_? -42.89 -58.97 3.36 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.573 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.733 ' HD3' ' HB2' ' A' ' 18' ' ' ARG . 50.4 Cg_exo -48.37 -49.69 13.85 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.878 2.386 . . . . 0.0 112.155 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.691 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -64.44 -45.15 88.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.504 ' SD ' ' C ' ' A' ' 21' ' ' MET . 12.5 tmm? -66.86 -40.46 87.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.609 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -63.26 -37.73 88.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD21 HG23 ' A' ' 79' ' ' VAL . 1.1 mm? -50.26 -44.94 53.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -38.3 72.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.643 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.16 -35.1 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.68 HD22 ' CE1' ' A' ' 30' ' ' PHE . 95.7 mt -68.19 -40.36 82.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.8 ttm -56.72 -33.21 66.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -81.44 -33.02 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.564 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.93 -35.33 31.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CE1' HD22 ' A' ' 26' ' ' LEU . 8.0 m-85 -103.0 156.27 17.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.822 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 61.0 t0 -99.07 95.16 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.685 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.741 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 167.65 156.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.13 129.36 47.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.404 ' CG2' ' HB1' ' A' ' 75' ' ' ALA . 84.0 t -106.61 134.88 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.601 ' O ' ' OE1' ' A' ' 66' ' ' GLU . 3.1 mp -136.44 137.71 40.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.623 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 36' ' ' LEU . 8.3 mp -108.76 150.48 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -148.01 134.43 19.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.437 HD22 ' NH2' ' A' ' 61' ' ' ARG . 1.1 t30 -90.33 155.94 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 52.1 p-10 -52.6 -27.56 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.7 OUTLIER -67.75 -10.14 50.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.32 11.98 60.41 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.5 m -85.13 117.07 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.575 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -77.74 103.5 7.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.64 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.6 65.17 6.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -40.41 121.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.81 -10.26 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -99.94 28.62 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -146.57 123.09 11.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.769 HG13 HD21 ' B' ' 248' ' ' LEU . 0.0 OUTLIER -63.51 -35.47 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.515 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.45 -36.6 74.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.64 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.1 -42.31 89.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -58.72 -39.17 80.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.908 ' O ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.11 -34.57 78.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.632 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.547 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 16.0 tpt -70.43 -35.13 73.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.478 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 93.5 mt -65.07 -34.99 79.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.676 ' OD2' HD22 ' B' ' 291' ' ' LEU . 18.5 m-20 -53.44 -34.56 58.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.547 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.458 ' C ' HH11 ' A' ' 61' ' ' ARG . 63.1 m -76.43 -6.7 52.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.17 28.97 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 5.3 pttt -68.96 97.26 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.486 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.77 4.89 39.34 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.458 HH11 ' C ' ' A' ' 57' ' ' SER . 28.4 mtm180 -104.83 166.45 10.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.362 . . . . 0.0 110.551 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' CD ' ' N ' ' A' ' 62' ' ' GLN . 14.5 mm-40 -99.97 141.26 33.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.627 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.05 162.37 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.91 101.77 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG11 HG11 ' A' ' 79' ' ' VAL . 39.6 t -80.96 130.05 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.601 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 5.3 mp0 -121.77 140.0 52.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.38 131.09 27.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.741 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 87.0 m -121.82 142.17 50.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.15 -175.9 19.59 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.822 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 51.2 Cg_endo -73.13 -37.66 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.811 2.341 . . . . 0.0 112.146 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 74' ' ' GLU . 4.9 mp0 -97.14 2.76 51.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.561 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.752 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 6.2 pm0 -34.88 -40.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.714 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 24.2 tp10 -59.67 -50.5 73.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.51 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' GLN . 31.0 tt0 -57.82 -52.32 65.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.636 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 34' ' ' VAL . . . -55.05 -49.16 72.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.584 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.217 ' O ' HG23 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -65.42 -43.59 90.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.71 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.876 ' O ' HG12 ' A' ' 80' ' ' ILE . . . -62.98 -41.73 99.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.65 99.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.881 HG12 ' O ' ' A' ' 76' ' ' LEU . 1.3 p -66.88 -43.16 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.217 HG23 ' O ' ' A' ' 76' ' ' LEU . 5.4 pt -64.21 -41.07 91.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.462 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.504 ' N ' ' CG1' ' A' ' 80' ' ' ILE . . . -64.7 -35.66 81.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.82 -37.27 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.473 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.665 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 11.0 m-30 -70.27 -32.87 70.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.879 ' ND2' ' O ' ' A' ' 80' ' ' ILE . 66.6 m-80 -80.81 -7.54 59.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.531 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 13.3 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.589 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 170' ' ' ARG . . . . . 0.506 ' N ' HD23 ' B' ' 394' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 12.7 tt -133.83 153.2 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.546 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -96.71 120.08 36.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.626 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -120.43 159.55 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' B' ' 370' ' ' MET . 3.9 mp -79.23 117.13 65.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.05 112.65 3.47 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.819 2.346 . . . . 0.0 112.099 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 176' ' ' ALA . . . . . 0.565 ' O ' ' NH2' ' B' ' 362' ' ' ARG . . . -91.96 -33.61 14.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -146.33 111.53 4.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.51 160.75 0.34 Allowed 'Trans proline' 0 C--N 1.303 -1.852 0 C-N-CA 123.002 2.468 . . . . 0.0 112.089 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 119.8 164.28 12.56 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.58 160.19 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -152.3 139.0 18.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 182' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 5.7 pt -133.56 121.85 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 173.92 177.47 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -76.54 161.99 28.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.64 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -100.83 144.35 16.61 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -129.2 139.55 51.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -76.64 135.38 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.438 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.537 ' C ' ' H ' ' B' ' 190' ' ' THR . 8.7 t70 -58.55 141.96 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -70.18 15.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 190' ' ' THR . . . . . 0.537 ' H ' ' C ' ' B' ' 188' ' ' ASP . 98.3 m -89.53 104.16 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.533 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 191' ' ' LEU . . . . . 0.616 ' HB3' ' HD2' ' B' ' 192' ' ' PRO . 12.6 mt -135.81 163.09 53.0 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.589 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.616 ' HD2' ' HB3' ' B' ' 191' ' ' LEU . 51.5 Cg_endo -72.78 120.11 6.48 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.852 2.368 . . . . 0.0 112.151 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.712 HD23 ' OE1' ' B' ' 196' ' ' GLN . 13.4 mt -101.63 1.6 37.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.518 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -41.71 86.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.564 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -101.78 -7.95 22.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.649 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 196' ' ' GLN . . . . . 0.712 ' OE1' HD23 ' B' ' 193' ' ' LEU . 34.3 tt0 -76.35 -20.78 56.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.512 HG21 ' HZ3' ' B' ' 273' ' ' LYS . 33.7 m -104.39 148.65 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 198' ' ' TYR . . . . . 0.449 ' CD2' ' C ' ' B' ' 197' ' ' VAL . 1.3 p90 -179.57 127.65 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 199' ' ' GLN . . . . . 0.523 ' HG2' ' H ' ' B' ' 200' ' ' ALA . 3.9 tt0 -144.22 175.23 10.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.491 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 200' ' ' ALA . . . . . 0.523 ' H ' ' HG2' ' B' ' 199' ' ' GLN . . . -74.48 -166.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.631 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 53.7 m -112.73 94.01 4.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 202' ' ' THR . . . . . 0.556 ' O ' HG23 ' B' ' 202' ' ' THR . 10.4 t -151.3 121.25 7.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 1.036 ' H ' HD23 ' B' ' 203' ' ' LEU . 1.0 OUTLIER -91.95 139.03 31.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.514 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.645 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -154.29 100.15 2.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 46.1 Cg_endo -72.06 -14.56 29.06 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.809 2.339 . . . . 0.0 111.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -91.12 -54.56 3.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 207' ' ' LEU . . . . . 0.509 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 2.5 tt -71.04 -39.9 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.645 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 3.5 mm-40 -68.42 -50.63 51.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.601 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 209' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 32.0 ttm105 -53.67 -56.39 17.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.553 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -45.01 92.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.558 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.625 ' CZ ' HD21 ' B' ' 309' ' ' LEU . 0.6 OUTLIER -56.04 -44.34 78.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.47 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.503 HD21 ' HB1' ' B' ' 268' ' ' ALA . 65.8 mt -71.19 -54.67 10.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.492 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 54.2 m -53.62 -52.44 59.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.555 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -56.36 -35.47 65.96 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.63 -39.86 66.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.528 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' B' ' 220' ' ' ALA . 48.8 mt -57.69 -54.1 50.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 1.4 mp0 -50.99 -32.2 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.517 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.34 -31.25 60.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.556 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -95.13 -48.16 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.604 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.41 -52.19 65.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 88.1 m-20 -64.99 -33.33 75.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.554 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.552 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.6 OUTLIER -65.23 -37.52 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.619 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -47.1 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.529 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 33.6 ttm105 -61.08 -40.5 93.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 225' ' ' ARG . . . . . 0.493 ' O ' ' HG3' ' B' ' 229' ' ' ARG . 7.0 mtp180 -69.95 -36.27 75.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.463 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.618 ' CE1' ' NH1' ' B' ' 304' ' ' ARG . 0.1 OUTLIER -57.05 -47.66 80.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.589 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 1.4 p -61.82 -48.67 79.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.497 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -42.56 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 229' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' B' ' 225' ' ' ARG . 1.5 mtm180 -76.92 -47.53 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.562 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.748 ' CD2' HG21 ' B' ' 238' ' ' THR . 0.2 OUTLIER -57.24 -51.14 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.591 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 231' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -56.12 -38.15 70.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.82 -17.28 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.495 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 233' ' ' GLY . . . . . 0.996 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -131.6 -92.62 0.57 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.996 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -22.6 -125.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.793 0.33 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.565 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 29.5 tt0 -133.02 165.64 24.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.643 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 236' ' ' LYS . . . . . 0.565 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 49.5 tttt -63.8 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -45.13 -44.55 10.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.633 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.748 HG21 ' CD2' ' B' ' 230' ' ' PHE . 28.9 m -57.94 -54.04 51.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 239' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -55.62 -44.02 76.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.402 ' CB ' ' NH1' ' A' ' 18' ' ' ARG . . . -55.33 -48.17 74.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.648 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' B' ' 356' ' ' GLN . 85.1 mt -66.69 -54.37 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.476 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.72 ' CZ ' ' HB2' ' B' ' 336' ' ' ALA . 7.0 m-30 -58.22 -51.11 71.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -47.43 -37.96 12.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.656 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 0.548 ' O ' HD23 ' B' ' 244' ' ' LEU . 4.7 tt -68.01 -41.78 81.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.582 ' OH ' ' CG ' ' B' ' 297' ' ' ASP . 22.3 m-30 -71.88 -41.59 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 70.5 m -53.38 -42.53 67.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 247' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -76.48 -29.31 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.769 HD21 HG13 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -72.53 -60.62 2.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.611 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.481 HD13 HD21 ' B' ' 301' ' ' LEU . 60.1 tp -54.91 -35.89 64.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 95.9 p -81.46 -13.56 58.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.942 ' O ' ' N ' ' B' ' 253' ' ' ARG . 64.4 t0 -62.48 113.7 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 252' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' B' ' 252' ' ' THR . 0.3 OUTLIER -43.79 9.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.942 ' N ' ' O ' ' B' ' 251' ' ' ASP . 2.9 ttt-85 -81.73 -57.67 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 254' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 0.5 OUTLIER -62.37 -42.02 99.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.465 ' HG2' ' CE2' ' B' ' 259' ' ' PHE . 14.7 ttm-85 -60.23 -43.05 96.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 256' ' ' ARG . . . . . 0.451 ' NH2' ' CB ' ' B' ' 260' ' ' ALA . 0.0 OUTLIER -61.06 -42.19 98.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.464 ' OE1' ' CE1' ' B' ' 279' ' ' PHE . 27.6 mt-10 -57.01 -50.64 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.646 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.5 HD13 HG12 ' B' ' 272' ' ' VAL . 35.9 mt -57.19 -60.63 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 259' ' ' PHE . . . . . 0.636 ' N ' ' CD1' ' B' ' 259' ' ' PHE . 3.4 m-30 -53.45 -36.69 61.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 260' ' ' ALA . . . . . 0.451 ' CB ' ' NH2' ' B' ' 256' ' ' ARG . . . -60.42 -39.8 88.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.623 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.28 -46.05 43.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.18 -46.49 94.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -61.7 -12.75 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -88.14 -20.94 24.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 120.64 24.14 2.66 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 30.4 t -111.44 165.72 11.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.49 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 267' ' ' VAL . . . . . 0.57 HG13 ' H ' ' B' ' 270' ' ' TRP . 10.2 p -97.88 147.49 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.638 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.635 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -57.85 -46.11 85.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.439 ' H ' HG22 ' B' ' 267' ' ' VAL . 0.4 OUTLIER -41.39 -52.26 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 270' ' ' TRP . . . . . 0.57 ' H ' HG13 ' B' ' 267' ' ' VAL . 7.1 m95 -83.96 -32.6 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -58.32 -47.88 82.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.61 HG22 ' O ' ' B' ' 268' ' ' ALA . 20.5 m -71.14 -36.56 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.572 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.512 ' HZ3' HG21 ' B' ' 197' ' ' VAL . 1.2 tmmm? -69.04 -44.76 72.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 274' ' ' THR . . . . . 0.606 ' O ' ' N ' ' B' ' 278' ' ' LYS . 98.4 m -72.49 -49.18 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 271' ' ' ALA . 79.7 t -57.85 -56.76 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.496 HG22 ' O ' ' B' ' 272' ' ' VAL . 2.9 tp -58.11 -40.29 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' B' ' 276' ' ' ILE . 0.4 OUTLIER -76.29 -40.83 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 278' ' ' LYS . . . . . 0.606 ' N ' ' O ' ' B' ' 274' ' ' THR . 25.0 ttpp -59.9 -39.89 86.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 279' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' B' ' 282' ' ' GLN . 2.2 m-85 -79.86 -26.59 40.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -69.36 -13.27 62.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' B' ' 281' ' ' GLU . 0.2 OUTLIER -81.29 -46.32 14.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 282' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 279' ' ' PHE . 13.9 pt20 -59.85 -43.51 94.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.625 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.538 ' N ' ' CG ' ' B' ' 282' ' ' GLN . 47.3 m-85 -65.95 -35.06 79.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -76.87 -17.86 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -91.89 -17.17 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.997 HD21 ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -52.34 158.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 287' ' ' SER . . . . . 0.558 ' N ' ' HG ' ' B' ' 286' ' ' LEU . 30.7 t -83.8 -48.83 9.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.64 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.997 ' O ' HD21 ' B' ' 286' ' ' LEU . 32.5 t70 -52.23 117.44 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.615 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 289' ' ' ASN . . . . . 0.513 ' HA ' ' HB3' ' B' ' 292' ' ' LYS . 9.0 t30 -73.37 -41.27 63.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.94 -38.54 56.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.676 HD22 ' OD2' ' A' ' 56' ' ' ASP . 1.7 mp -87.68 -40.5 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' B' ' 293' ' ' GLU . 0.0 OUTLIER -36.46 -40.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.485 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 293' ' ' GLU . . . . . 0.53 ' N ' ' HG3' ' B' ' 292' ' ' LYS . 34.4 tp10 -52.5 -39.5 61.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.414 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' B' ' 291' ' ' LEU . 24.9 mtm105 -45.58 -41.93 10.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.319 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -51.13 -47.65 61.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.232 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -59.38 -39.79 95.23 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.582 ' CG ' ' OH ' ' B' ' 245' ' ' TYR . 28.1 m-20 -63.64 -43.48 96.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.288 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.74 -49.22 73.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.236 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -56.78 -41.59 77.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.154 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.816 ' CB ' HG21 ' B' ' 333' ' ' THR . . . -70.1 -35.5 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.133 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.481 HD21 HD13 ' B' ' 249' ' ' LEU . 0.5 OUTLIER -61.9 -43.28 99.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.219 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -56.16 -44.27 88.78 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 303' ' ' GLN . . . . . 0.783 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -62.77 -40.32 96.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.216 179.707 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.783 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 6.5 ttt180 -62.38 -41.9 99.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.214 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.91 -33.58 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.262 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 306' ' ' LEU . . . . . 0.662 ' O ' HD23 ' B' ' 306' ' ' LEU . 2.3 tt -62.8 -39.62 94.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 307' ' ' PHE . . . . . 0.504 ' HB3' HD21 ' B' ' 313' ' ' ASN . 3.3 m-85 -65.52 -42.18 92.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.357 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.476 ' N ' ' ND1' ' B' ' 308' ' ' HIS . 1.7 m80 -75.08 -29.19 60.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.391 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.625 HD21 ' CZ ' ' B' ' 211' ' ' ARG . 0.3 OUTLIER -60.63 -17.36 46.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.52 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.673 ' C ' ' H ' ' B' ' 312' ' ' ALA . 0.0 OUTLIER -115.01 113.57 24.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.584 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -47.9 -2.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.673 ' H ' ' C ' ' B' ' 310' ' ' ASP . . . -68.68 -19.67 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.57 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.504 HD21 ' HB3' ' B' ' 307' ' ' PHE . 5.3 t30 -160.57 134.3 6.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.635 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -104.03 30.94 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 315' ' ' GLY . . . . . 0.43 ' HA2' ' CE1' ' B' ' 308' ' ' HIS . . . 109.33 -107.7 2.43 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -72.81 159.65 47.89 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.856 2.371 . . . . 0.0 112.15 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -147.68 -127.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -103.27 97.72 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.521 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -97.6 150.76 37.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.63 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -73.02 157.22 51.37 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.841 2.361 . . . . 0.0 112.137 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -85.64 -14.42 45.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.443 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.0 OUTLIER -139.22 124.1 18.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 176.58 157.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.04 144.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.517 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.705 HD13 ' N ' ' B' ' 326' ' ' VAL . 0.8 OUTLIER -95.86 119.92 35.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.705 ' N ' HD13 ' B' ' 325' ' ' LEU . 47.2 t -117.11 106.44 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.604 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.86 155.17 50.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 328' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 4.8 p-10 -65.8 -26.31 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -151.16 125.0 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.534 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.502 HD22 HG11 ' B' ' 346' ' ' VAL . 15.6 tp -75.19 123.73 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.501 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 69.5 p -125.91 136.81 53.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -52.18 -40.87 62.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.816 HG21 ' CB ' ' B' ' 300' ' ' ALA . 11.9 t -52.42 -43.17 64.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 334' ' ' THR . . . . . 0.548 ' N ' HG23 ' B' ' 333' ' ' THR . 91.5 m -58.95 -50.45 74.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.598 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' B' ' 337' ' ' GLU . 5.7 mp -55.26 -41.96 72.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 336' ' ' ALA . . . . . 0.72 ' HB2' ' CZ ' ' B' ' 242' ' ' PHE . . . -65.54 7.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.534 ' H ' ' C ' ' B' ' 335' ' ' LEU . 25.8 tt0 -107.87 -39.49 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.479 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -116.4 118.39 37.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -47.28 158.87 0.49 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.83 2.353 . . . . 0.0 112.061 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -69.48 -12.04 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.485 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -70.67 -40.74 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -21.19 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.507 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' B' ' 343' ' ' LEU . 34.0 tp -88.22 98.33 11.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.544 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.43 HG22 ' O ' ' B' ' 323' ' ' PHE . 19.9 m -115.08 10.07 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -177.07 155.15 17.45 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.502 HG11 HD22 ' B' ' 330' ' ' LEU . 16.1 t -138.53 142.75 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.866 0.365 . . . . 0.0 110.465 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 91.5 t -143.86 117.26 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' B' ' 370' ' ' MET . 66.2 t -110.61 149.28 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 349' ' ' ARG . . . . . 0.447 HH11 ' C ' ' B' ' 374' ' ' ILE . 6.7 mtp-105 -88.69 -39.18 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.525 ' O ' ' O ' ' B' ' 351' ' ' GLY . 5.3 p-10 -139.19 -102.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.525 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 51.82 162.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -86.67 160.49 18.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -86.86 -5.91 58.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.64 -0.39 37.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.1 150.76 2.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.576 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 356' ' ' GLN . . . . . 0.515 ' HB2' HD11 ' B' ' 241' ' ' ILE . 10.3 pt20 -65.16 -48.71 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.58 92.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.06 -40.99 77.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.2 mt -71.27 -32.56 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.85 -51.91 62.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.609 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.464 HG23 ' N ' ' B' ' 362' ' ' ARG . 16.1 m -60.58 -44.34 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.459 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.565 ' NH2' ' O ' ' B' ' 176' ' ' ALA . 11.1 ttm-85 -56.89 -53.28 59.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -66.34 -27.5 67.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 364' ' ' LEU . . . . . 0.731 HD23 HD12 ' B' ' 366' ' ' ILE . 40.6 tp -72.4 -28.93 63.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.474 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.01 33.84 6.77 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 366' ' ' ILE . . . . . 0.731 HD12 HD23 ' B' ' 364' ' ' LEU . 4.0 mt -112.82 125.53 29.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.589 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.21 132.43 18.71 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.786 2.324 . . . . 0.0 112.195 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 35.6 m -142.75 134.73 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 1.5 t -130.06 146.97 33.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.551 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' B' ' 174' ' ' LEU . 0.0 OUTLIER -133.6 157.54 45.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.597 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 102.7 -8.49 54.61 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.2 113.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.522 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -104.37 44.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.447 ' C ' HH11 ' B' ' 349' ' ' ARG . 4.9 tp -124.44 140.72 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.426 ' OE1' ' NH1' ' B' ' 349' ' ' ARG . 4.8 mm100 -73.7 112.79 17.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 376' ' ' PRO . . . . . 0.635 ' HG3' HG12 ' B' ' 326' ' ' VAL . 50.3 Cg_exo -49.0 -25.34 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.775 2.316 . . . . 0.0 112.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 58.5 m -49.85 -32.37 14.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 378' ' ' VAL . . . . . 0.45 ' O ' ' CE1' ' B' ' 380' ' ' HIS . 3.1 t -85.37 -28.31 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.708 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.713 ' O ' ' O ' ' B' ' 380' ' ' HIS . 4.0 mm? -65.82 -22.88 66.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.713 ' O ' ' O ' ' B' ' 379' ' ' LEU . 3.0 p80 -6.43 -114.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.651 ' N ' ' ND1' ' B' ' 380' ' ' HIS . 7.0 mtt180 -88.14 17.09 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 382' ' ' ARG . . . . . 0.437 ' HB2' ' CE1' ' B' ' 380' ' ' HIS . 16.3 tpt180 -74.87 144.99 43.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 16.5 m -70.42 123.68 22.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 49.1 tp -116.63 142.53 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.441 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 385' ' ' ILE . . . . . 0.654 ' O ' HG13 ' B' ' 385' ' ' ILE . 0.1 OUTLIER -139.58 101.97 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 386' ' ' VAL . . . . . 0.685 HG22 HD12 ' B' ' 393' ' ' LEU . 29.1 t -92.94 157.23 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' B' ' 391' ' ' GLY . 57.9 t0 -141.61 78.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -40.9 -53.64 3.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 389' ' ' TYR . . . . . 0.557 ' CE2' ' CD ' ' B' ' 414' ' ' GLU . 73.4 t80 -41.84 -57.03 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.48 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 390' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' B' ' 391' ' ' GLY . 4.6 tpp180 -96.18 7.14 47.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.528 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 37.45 54.85 1.68 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.3 156.06 33.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.594 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.685 HD12 HG22 ' B' ' 386' ' ' VAL . 3.1 tp -129.94 111.19 12.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.467 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.506 HD23 ' N ' ' B' ' 170' ' ' ARG . 52.3 mt -108.01 173.92 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.54 ' O ' ' C ' ' B' ' 396' ' ' ASP . 3.2 p -142.21 120.58 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.54 ' C ' ' O ' ' B' ' 395' ' ' VAL . 1.1 m-20 28.01 58.12 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 397' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.55 171.04 17.09 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.812 2.341 . . . . 0.0 112.118 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -56.95 122.25 51.53 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.45 -38.5 27.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.902 2.401 . . . . 0.0 112.088 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 400' ' ' VAL . . . . . 0.673 HG23 ' H ' ' B' ' 401' ' ' LEU . 2.6 m -60.78 -58.96 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 401' ' ' LEU . . . . . 0.673 ' H ' HG23 ' B' ' 400' ' ' VAL . 71.8 mt -47.55 -48.87 27.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.495 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.39 -33.45 74.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.533 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.75 -52.0 54.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -62.21 -44.88 95.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.583 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.19 -45.34 11.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -62.34 -39.3 92.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.621 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -74.17 -39.4 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.612 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.62 -47.69 81.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.53 -35.3 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.621 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 9.2 m -58.39 -30.56 66.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 411' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' B' ' 412' ' ' GLU . 52.9 tt0 -62.01 -20.41 63.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.474 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' B' ' 411' ' ' GLU . 0.1 OUTLIER 79.66 42.96 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.503 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 413' ' ' ILE . . . . . . . . . . . . . 3.7 pt -110.69 50.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 0.557 ' CD ' ' CE2' ' B' ' 389' ' ' TYR . 34.7 tt0 -149.01 -79.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.7 8.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.599 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.452 ' H ' ' C ' ' B' ' 414' ' ' GLU . 37.0 t -111.45 -30.98 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.587 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -124.95 -30.75 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 418' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 414' ' ' GLU . 4.3 tt 46.44 81.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -153.73 165.46 35.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.43 -11.95 0.47 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.525 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -95.57 -175.06 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 424' ' ' ASN . 37.8 t70 -66.11 98.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.596 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.42 -46.33 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.58 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 424' ' ' ASN . . . . . 0.482 ' O ' ' OD2' ' B' ' 422' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.629 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.559 HG22 ' OG1' ' A' ' 68' ' ' THR . 68.5 p -81.92 159.11 23.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.535 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.706 HG21 ' OE2' ' A' ' 72' ' ' GLU . 73.4 t -133.48 116.8 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.504 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -124.02 173.22 8.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -162.84 133.53 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.486 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 t -79.04 130.51 35.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 80' ' ' ILE . 58.6 t -131.25 123.79 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.599 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.17 126.98 31.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.0 mm -90.23 104.54 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.4 57.09 3.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.423 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.5 t30 62.69 22.72 13.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.491 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.675 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -162.35 101.54 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.524 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.762 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.36 -6.57 10.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.51 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.75 -45.89 0.83 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.686 ' O ' ' C ' ' A' ' 16' ' ' HIS . 5.8 tpt -179.47 151.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.722 0.296 . . . . 0.0 110.655 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.686 ' C ' ' O ' ' A' ' 15' ' ' MET . 3.2 t-160 -4.71 -66.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -168.12 2.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.489 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -48.39 -55.49 18.74 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 18' ' ' ARG . 52.6 Cg_exo -47.58 -48.17 16.27 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 122.881 2.388 . . . . 0.0 112.219 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -65.65 -43.21 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.489 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -41.63 90.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -63.17 -37.87 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.938 HD11 HG23 ' A' ' 79' ' ' VAL . 2.1 mp -49.23 -45.34 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.575 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.615 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 12.3 m-85 -57.83 -39.53 77.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.562 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.14 -34.91 64.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.575 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.652 ' HG ' ' HD1' ' A' ' 30' ' ' PHE . 5.3 tt -69.19 -39.02 78.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.4 ttp -58.58 -30.09 66.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.5 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.615 ' OE1' ' O ' ' A' ' 24' ' ' PHE . 3.3 mt-30 -83.64 -31.94 25.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.53 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.25 -28.13 41.75 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.77 ' CD1' ' OE1' ' A' ' 74' ' ' GLU . 7.6 m-85 -110.01 148.12 32.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.66 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 60.0 t0 -91.86 99.01 11.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.573 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 162.99 152.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -98.7 130.5 45.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.045 ' C ' HD22 ' A' ' 35' ' ' LEU . 7.1 p -107.4 131.94 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.045 HD22 ' C ' ' A' ' 34' ' ' VAL . 2.7 mm? -133.12 137.02 46.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.5 mp -107.63 150.44 26.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.58 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.44 HH21 ' HD2' ' A' ' 37' ' ' ARG . 17.1 mtm105 -146.63 136.37 23.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.707 ' ND2' ' SD ' ' A' ' 54' ' ' MET . 15.8 m-20 -93.15 155.07 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.12 -28.16 16.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.494 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' OE2' ' N ' ' A' ' 40' ' ' GLU . 1.4 mm-40 -68.26 -10.53 55.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.1 11.97 59.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -84.8 116.56 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 43' ' ' GLU . 2.9 pt-20 -77.48 103.76 7.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.651 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.76 65.14 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -40.43 121.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.13 -9.65 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -100.45 29.0 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.03 123.23 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.672 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 14.5 p -63.2 -35.52 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.681 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.401 HG21 ' OE1' ' B' ' 282' ' ' GLN . 3.0 pt -61.5 -37.37 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.58 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.69 -42.28 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.545 HD21 ' HB1' ' A' ' 20' ' ' ALA . 6.4 mp -58.47 -38.73 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.577 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -65.47 -35.75 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.707 ' SD ' ' ND2' ' A' ' 38' ' ' ASN . 1.9 tmt? -68.73 -36.09 77.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.587 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD11 HD23 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -63.76 -35.27 80.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.623 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.99 -34.74 57.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.624 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.4 p -76.69 -6.48 52.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.498 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.19 29.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.567 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -69.2 96.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.539 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.94 4.99 38.83 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -105.87 163.94 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -97.32 143.81 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 38' ' ' ASN . 41.0 pt -130.95 162.3 39.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -124.24 100.71 6.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.671 HG11 HG11 ' A' ' 79' ' ' VAL . 44.0 t -80.5 128.45 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -120.73 138.63 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.69 130.3 29.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.558 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.559 ' OG1' HG22 ' A' ' 2' ' ' THR . 41.3 m -123.44 128.77 50.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.531 ' O ' ' CG ' ' A' ' 72' ' ' GLU . . . 142.32 160.7 8.45 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.06 -44.47 23.22 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.87 2.38 . . . . 0.0 112.077 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 1.098 ' HB3' ' HG2' ' A' ' 74' ' ' GLU . 1.7 mm100 -93.27 5.94 49.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.706 ' OE2' HG21 ' A' ' 3' ' ' VAL . 1.3 pp20? -37.46 -37.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 8.6 tp10 -63.25 -53.34 54.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.479 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 1.098 ' HG2' ' HB3' ' A' ' 71' ' ' GLN . 1.2 pp20? -54.98 -50.17 69.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.999 ' N ' ' OE1' ' A' ' 74' ' ' GLU . . . -55.86 -50.64 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.635 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.762 ' O ' HG12 ' A' ' 79' ' ' VAL . 2.9 tt -64.34 -43.81 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.688 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.45 99.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.635 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.25 96.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.605 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.938 HG23 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -66.72 -42.02 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.542 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 1.0 OUTLIER -64.68 -41.61 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.51 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.45 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.84 -37.08 86.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.505 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.45 -37.36 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 4.8 m-85 -69.75 -32.23 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.535 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 85' ' ' SER . 14.2 m-20 -82.37 -4.3 57.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.5 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.521 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 91.0 mt -125.65 134.28 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.557 ' CD ' ' H ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -88.11 107.63 18.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.788 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -107.48 164.79 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.764 ' N ' HD12 ' B' ' 174' ' ' LEU . 5.7 mp -80.01 119.1 75.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.59 115.65 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.77 2.314 . . . . 0.0 112.145 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 176' ' ' ALA . . . . . 1.022 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -92.75 -36.66 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.461 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.3 107.6 6.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.6 145.56 9.0 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.9 2.4 . . . . 0.0 112.124 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 179' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 136.17 168.59 11.53 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 12.5 p -124.79 139.56 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.498 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -142.21 144.5 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 182' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 23.1 pt -130.92 129.7 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 173.11 175.58 0.11 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.605 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.02 167.66 21.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.576 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -105.92 128.82 9.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 186' ' ' TRP . . . . . 0.42 ' CB ' ' CD1' ' B' ' 323' ' ' PHE . 8.8 t90 -115.92 118.31 32.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.483 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -75.65 111.91 11.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -106.86 77.3 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.574 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.689 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -114.29 44.07 1.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.625 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 190' ' ' THR . . . . . 0.689 ' C ' ' O ' ' B' ' 189' ' ' ALA . 19.9 p -9.43 106.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.515 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 12.2 mt -80.7 113.34 39.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -72.51 -173.4 1.15 Allowed 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.859 2.372 . . . . 0.0 112.057 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.58 13.72 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 194' ' ' MET . . . . . 0.71 ' O ' HG12 ' B' ' 197' ' ' VAL . 67.8 mtm -72.46 -43.78 63.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.585 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -77.19 -30.36 54.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -89.35 2.41 54.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.71 HG12 ' O ' ' B' ' 194' ' ' MET . 9.3 p -67.4 162.3 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.614 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 198' ' ' TYR . . . . . 0.479 ' N ' HG22 ' B' ' 197' ' ' VAL . 0.3 OUTLIER -133.22 159.77 39.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -80.06 128.16 33.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -158.16 143.6 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.608 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 33.4 t -133.16 102.19 5.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.19 99.74 3.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 8.3 mp -54.1 126.06 21.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.623 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 14.2 p-10 -155.92 49.54 0.42 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.445 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.623 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 53.9 Cg_exo -47.15 -54.42 5.06 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.792 2.328 . . . . 0.0 112.157 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -48.87 -51.16 31.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 10.9 tp -75.97 -34.19 59.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.502 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.581 ' HG2' HG21 ' B' ' 262' ' ' VAL . 1.8 tp10 -71.77 -65.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.389 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 209' ' ' ARG . . . . . 0.604 ' HG2' ' N ' ' B' ' 210' ' ' GLU . 0.2 OUTLIER -45.1 -46.87 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 210' ' ' GLU . . . . . 0.604 ' N ' ' HG2' ' B' ' 209' ' ' ARG . 15.5 tm-20 -64.59 -38.64 91.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.573 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.482 HH11 HD12 ' B' ' 309' ' ' LEU . 9.9 mtp180 -58.98 -43.69 91.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.548 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.402 ' HG ' HD13 ' B' ' 258' ' ' LEU . 0.1 OUTLIER -65.26 -53.04 50.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.568 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 213' ' ' THR . . . . . 0.597 ' O ' ' OE1' ' B' ' 217' ' ' GLU . 36.6 p -50.91 -48.62 60.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.477 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -66.94 -34.34 86.77 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 215' ' ' ALA . . . . . 0.82 ' HB1' HD22 ' B' ' 309' ' ' LEU . . . -72.6 -45.84 57.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.748 0.308 . . . . 0.0 110.577 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.613 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.8 OUTLIER -59.57 -50.3 74.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.597 ' OE1' ' O ' ' B' ' 213' ' ' THR . 1.2 mp0 -52.94 -31.85 42.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.492 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 218' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' B' ' 222' ' ' GLU . 2.4 tp10 -77.13 -33.55 56.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.458 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.29 -49.09 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -58.58 -49.07 78.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 74.5 m-20 -67.43 -31.63 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.718 ' HG3' ' CE1' ' B' ' 226' ' ' TYR . 40.9 tt0 -67.79 -39.3 84.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.17 -39.27 75.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.45 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 224' ' ' ARG . . . . . 0.467 HH21 ' HD2' ' B' ' 224' ' ' ARG . 43.6 ttm105 -69.79 -38.15 76.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 225' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' B' ' 221' ' ' ASN . 22.8 mtp180 -81.93 -33.76 30.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.464 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.718 ' CE1' ' HG3' ' B' ' 222' ' ' GLU . 3.3 m-85 -68.45 -49.81 57.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 227' ' ' SER . . . . . 0.635 ' CB ' ' CG ' ' B' ' 242' ' ' PHE . 51.4 p -62.05 -31.47 71.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.46 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -46.64 73.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.46 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 229' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 226' ' ' TYR . 5.0 ptm180 -77.87 -43.0 31.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.488 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' B' ' 238' ' ' THR . 0.6 OUTLIER -51.62 -60.25 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 231' ' ' ALA . . . . . 0.759 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -46.89 -41.8 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.45 -25.26 65.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.476 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -96.18 -46.53 2.59 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -91.3 -156.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.596 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.428 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 13.7 pt20 -98.46 -176.85 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.637 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 236' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 240' ' ' ALA . 14.3 mttm -61.05 -33.72 73.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.424 ' OE1' ' NE2' ' B' ' 235' ' ' GLN . 88.5 tt0 -42.79 -43.28 3.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.663 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.561 ' O ' ' CG1' ' B' ' 241' ' ' ILE . 4.6 m -69.67 -44.99 69.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.694 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 239' ' ' ALA . . . . . 0.759 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -71.88 -14.78 62.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 236' ' ' LYS . . . -82.94 -35.25 26.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.839 HG13 ' H ' ' B' ' 242' ' ' PHE . 8.6 pt -72.28 -62.24 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.904 ' CG ' ' N ' ' B' ' 243' ' ' ASP . 0.1 OUTLIER -48.59 -62.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.904 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 12.2 t0 -38.36 -43.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 0.475 HD22 HH22 ' B' ' 294' ' ' ARG . 0.5 OUTLIER -68.15 -61.21 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.502 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.586 ' CZ ' ' HB3' ' B' ' 297' ' ' ASP . 8.3 m-85 -59.85 -45.13 93.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 36.2 t -41.33 -44.09 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.515 ' NE2' ' CZ ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -70.26 -29.82 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.575 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.797 ' C ' HD13 ' B' ' 248' ' ' LEU . 2.7 tm? -62.14 -59.59 4.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.613 ' N ' HD13 ' B' ' 248' ' ' LEU . 67.6 mt -54.39 -44.0 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 77.3 p -69.9 -24.2 63.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.718 ' C ' ' H ' ' B' ' 253' ' ' ARG . 31.7 t0 -53.44 124.64 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.644 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 2.8 m -55.86 8.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.718 ' H ' ' C ' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -82.28 -37.9 25.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.533 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 254' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 3.8 mm? -78.39 -37.22 44.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.663 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -69.7 -44.28 70.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.665 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 256' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' B' ' 260' ' ' ALA . 34.6 ptt180 -66.41 -40.54 89.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' B' ' 256' ' ' ARG . 19.5 mt-10 -63.34 -48.29 78.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' B' ' 254' ' ' LEU . 12.6 mt -61.53 -61.5 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 260' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' B' ' 256' ' ' ARG . . . -62.07 -41.65 98.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.25 -42.09 99.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 262' ' ' VAL . . . . . 0.581 HG21 ' HG2' ' B' ' 208' ' ' GLU . 92.8 t -63.21 -33.18 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -20.41 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.68 -21.15 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.38 20.07 2.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 266' ' ' SER . . . . . 0.457 ' O ' HG22 ' B' ' 262' ' ' VAL . 73.6 m -89.92 151.67 21.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.693 0.282 . . . . 0.0 110.683 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 267' ' ' VAL . . . . . 0.559 HG12 ' H ' ' B' ' 269' ' ' GLU . 54.3 t -99.95 144.8 11.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.601 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -44.22 -29.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.556 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.559 ' H ' HG12 ' B' ' 267' ' ' VAL . 1.8 mp0 -59.12 -53.99 52.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 270' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' B' ' 274' ' ' THR . 0.4 OUTLIER -81.42 -30.23 33.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.582 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.547 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -58.09 -54.56 45.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.654 ' O ' HG23 ' B' ' 276' ' ' ILE . 16.4 m -64.9 -37.11 79.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.44 ' N ' HG23 ' B' ' 272' ' ' VAL . 69.6 tttt -73.92 -47.46 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.485 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 274' ' ' THR . . . . . 0.401 ' N ' ' O ' ' B' ' 270' ' ' TRP . 97.8 m -61.63 -55.18 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.529 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 271' ' ' ALA . 77.8 t -48.37 -63.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.654 HG23 ' O ' ' B' ' 272' ' ' VAL . 31.2 pt -53.88 -41.33 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.562 ' N ' HG13 ' B' ' 276' ' ' ILE . 50.3 tp10 -66.12 -44.8 83.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -61.84 -37.24 83.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 279' ' ' PHE . . . . . 0.448 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 1.2 m-85 -72.69 -31.01 64.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.67 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.1 79.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.669 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -75.75 -46.06 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.613 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 282' ' ' GLN . . . . . 0.401 ' OE1' HG21 ' A' ' 50' ' ' ILE . 38.1 tt0 -60.51 -40.27 90.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.742 ' O ' HD11 ' B' ' 291' ' ' LEU . 3.8 m-85 -59.47 -46.76 87.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.639 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 284' ' ' ALA . . . . . 0.656 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -59.39 -45.46 91.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 285' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -29.99 -41.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.656 ' O ' ' O ' ' B' ' 284' ' ' ALA . 6.1 mp -74.95 166.81 23.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 66.6 m -115.41 -14.4 11.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -42.91 135.19 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.659 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 289' ' ' ASN . . . . . 0.571 ' CG ' ' H ' ' B' ' 290' ' ' TYR . 23.8 p-10 -57.66 -60.88 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.468 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 290' ' ' TYR . . . . . 0.571 ' H ' ' CG ' ' B' ' 289' ' ' ASN . 55.4 t80 -53.67 -25.39 17.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.947 HD13 ' N ' ' B' ' 292' ' ' LYS . 1.2 tm? -70.29 -63.5 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.477 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.947 ' N ' HD13 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -37.9 -39.78 0.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.13 -43.34 53.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.283 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.531 ' NH2' ' OH ' ' B' ' 290' ' ' TYR . 12.6 tpt180 -49.76 -44.5 48.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 295' ' ' ALA . . . . . 0.599 ' HB2' ' HB3' ' B' ' 283' ' ' PHE . . . -57.97 -48.63 79.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.178 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -58.69 -39.65 93.79 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.586 ' HB3' ' CZ ' ' B' ' 245' ' ' TYR . 1.4 m-20 -65.01 -41.85 94.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.391 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 298' ' ' LEU . . . . . 0.503 HD12 ' CE2' ' B' ' 283' ' ' PHE . 0.5 OUTLIER -56.32 -46.05 80.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.361 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 299' ' ' ARG . . . . . 0.547 ' NH1' ' N ' ' B' ' 303' ' ' GLN . 2.1 tpm_? -56.7 -45.76 81.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.159 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.565 ' HB1' ' OG1' ' B' ' 333' ' ' THR . . . -62.95 -39.79 95.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.311 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.553 HD12 ' O ' ' B' ' 297' ' ' ASP . 0.5 OUTLIER -66.52 -40.53 89.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.205 179.729 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.21 -44.14 97.73 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 303' ' ' GLN . . . . . 0.547 ' N ' ' NH1' ' B' ' 299' ' ' ARG . 1.3 tm0? -55.0 -38.81 68.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.268 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.514 ' NE ' ' OE1' ' B' ' 222' ' ' GLU . 0.0 OUTLIER -66.03 -37.66 86.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.348 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 305' ' ' LEU . . . . . 0.513 ' O ' HD23 ' B' ' 309' ' ' LEU . 1.2 tp -65.26 -40.0 93.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.311 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.61 -37.55 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.475 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -45.02 86.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.398 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -73.96 -23.88 59.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.482 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.82 HD22 ' HB1' ' B' ' 215' ' ' ALA . 0.6 OUTLIER -65.04 -21.56 66.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.449 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -133.89 64.5 1.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -47.8 -28.67 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.585 ' C ' ' H ' ' B' ' 314' ' ' GLN . . . -58.19 -36.43 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.623 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.518 ' O ' ' CG ' ' B' ' 313' ' ' ASN . 0.9 OUTLIER -68.23 29.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.646 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 314' ' ' GLN . . . . . 0.585 ' H ' ' C ' ' B' ' 312' ' ' ALA . 27.9 tp60 -179.94 132.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.673 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -102.54 -120.73 4.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.5 -27.51 7.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.893 2.395 . . . . 0.0 112.037 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 53.73 51.82 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -96.63 127.03 42.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.57 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.44 ' CD1' ' N ' ' B' ' 319' ' ' TRP . 0.5 OUTLIER -94.79 153.89 39.97 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.572 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -47.63 177.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.868 2.379 . . . . 0.0 112.174 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 321' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' B' ' 321' ' ' GLU . 0.9 OUTLIER -74.4 -51.68 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.494 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 7.6 ptm180 -155.64 158.92 39.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.61 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.494 ' HB3' ' O ' ' B' ' 322' ' ' ARG . 50.5 p90 171.83 170.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.561 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' B' ' 384' ' ' LEU . 88.6 mt -97.81 147.38 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.731 ' C ' HD13 ' B' ' 325' ' ' LEU . 2.6 tm? -85.9 118.34 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.689 ' N ' HD13 ' B' ' 325' ' ' LEU . 25.7 t -117.64 103.47 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -139.63 148.37 42.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.468 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 328' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 43.6 p30 -63.64 -31.67 72.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.484 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.582 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 15.8 tm-20 -143.61 128.56 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.601 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.466 ' O ' ' OE2' ' B' ' 329' ' ' GLU . 58.2 mt -83.98 118.95 24.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.612 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 37.2 t -115.16 134.95 54.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.16 -38.12 65.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.62 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.565 ' OG1' ' HB1' ' B' ' 300' ' ' ALA . 10.9 p -61.98 -38.71 89.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.8 m -61.07 -52.82 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.55 ' C ' ' H ' ' B' ' 337' ' ' GLU . 1.3 mp -55.51 -34.08 64.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.537 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.5 16.64 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.626 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.55 ' H ' ' C ' ' B' ' 335' ' ' LEU . 94.8 mt-10 -122.36 -46.48 2.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.882 HD13 ' NH1' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -95.18 114.4 63.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.458 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.67 145.88 8.81 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.822 2.348 . . . . 0.0 112.117 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -71.05 -14.15 62.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.667 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -67.17 -45.32 77.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.882 ' NH1' HD13 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -77.3 -18.56 57.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.573 HD23 ' H ' ' B' ' 345' ' ' GLY . 3.0 tt -73.77 114.15 11.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.524 ' O ' HG12 ' B' ' 344' ' ' VAL . 13.9 t -121.76 8.54 5.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 345' ' ' GLY . . . . . 0.573 ' H ' HD23 ' B' ' 343' ' ' LEU . . . 177.11 171.07 40.29 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 43.5 t -150.1 142.56 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 56.7 t -145.41 123.96 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.499 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.464 HG23 ' N ' ' B' ' 349' ' ' ARG . 0.4 OUTLIER -117.05 156.02 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.634 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 349' ' ' ARG . . . . . 0.464 ' N ' HG23 ' B' ' 348' ' ' VAL . 8.5 ttt85 -90.81 -53.08 4.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.791 ' O ' ' N ' ' B' ' 352' ' ' ALA . 9.9 p30 -132.18 -15.81 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . -52.82 63.01 0.0 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 352' ' ' ALA . . . . . 0.791 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -42.36 174.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.725 ' HB1' ' NH1' ' B' ' 362' ' ' ARG . . . -59.97 -34.01 72.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.505 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 354' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 353' ' ' ALA . 0.7 OUTLIER -38.1 -32.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 355' ' ' SER . . . . . 0.419 ' N ' ' O ' ' B' ' 353' ' ' ALA . 72.9 m -57.63 143.9 39.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.593 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -48.07 78.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.477 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 357' ' ' ALA . . . . . 0.844 ' O ' HG23 ' B' ' 361' ' ' VAL . . . -57.57 -44.56 85.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.531 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.15 76.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.07 -33.36 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.538 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 51.0 mtm -82.67 -24.4 33.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.436 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.844 HG23 ' O ' ' B' ' 357' ' ' ALA . 84.9 t -67.76 -49.89 65.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.725 ' NH1' ' HB1' ' B' ' 353' ' ' ALA . 0.2 OUTLIER -67.31 -34.46 77.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.67 -24.23 62.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 364' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' B' ' 364' ' ' LEU . 0.6 OUTLIER -76.17 -21.9 55.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.25 33.59 6.81 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 366' ' ' ILE . . . . . 0.616 ' CG2' ' HD2' ' B' ' 367' ' ' PRO . 38.7 mt -114.88 141.51 26.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.597 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 367' ' ' PRO . . . . . 0.616 ' HD2' ' CG2' ' B' ' 366' ' ' ILE . 51.1 Cg_endo -72.99 129.38 14.18 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.794 2.329 . . . . 0.0 112.05 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 368' ' ' THR . . . . . 0.479 ' OG1' HG11 ' B' ' 361' ' ' VAL . 68.3 m -138.71 144.75 39.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.586 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.27 137.23 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 370' ' ' MET . . . . . 1.022 ' SD ' ' HB2' ' B' ' 176' ' ' ALA . 0.0 OUTLIER -121.3 159.25 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 100.97 -7.02 57.01 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.95 109.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -98.23 32.85 2.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.76 123.89 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.593 ' H ' ' CD ' ' B' ' 375' ' ' GLN . 2.1 mp0 -57.23 140.26 78.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.4 -22.38 21.67 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.826 2.351 . . . . 0.0 112.18 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 96.0 p -60.39 -32.35 71.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 58.4 t -83.21 -32.69 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.587 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.687 ' O ' ' N ' ' B' ' 381' ' ' ARG . 86.5 mt -66.6 -28.68 68.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.596 ' C ' ' O ' ' B' ' 379' ' ' LEU . 2.5 t60 22.44 -83.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.611 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.687 ' N ' ' O ' ' B' ' 379' ' ' LEU . 10.6 ptp85 -145.5 25.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -67.98 174.44 3.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 30.4 m -77.34 124.36 27.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.675 HD12 HG13 ' B' ' 386' ' ' VAL . 0.1 OUTLIER -115.0 130.49 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 385' ' ' ILE . . . . . 0.512 ' N ' HD13 ' B' ' 384' ' ' LEU . 97.1 mt -130.7 97.34 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.526 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 386' ' ' VAL . . . . . 0.675 HG13 HD12 ' B' ' 384' ' ' LEU . 31.5 m -103.63 160.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.544 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.663 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.8 t0 -141.3 83.35 1.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.574 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 388' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -43.5 -46.13 6.98 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 389' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' B' ' 389' ' ' TYR . 0.0 OUTLIER -50.95 -52.97 37.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.506 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 390' ' ' ARG . . . . . 0.422 HH22 ' HB2' ' B' ' 424' ' ' ASN . 27.5 ttt85 -94.82 -0.33 54.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.556 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 45.52 49.56 11.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -121.06 157.8 29.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.543 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 5.5 tt -129.84 118.35 21.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 85.6 mt -107.34 159.24 16.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.588 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.592 ' O ' ' C ' ' B' ' 396' ' ' ASP . 76.4 t -130.6 114.66 28.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.1 OUTLIER 22.77 60.36 0.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 397' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -72.51 167.29 27.44 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.791 2.327 . . . . 0.0 112.098 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 398' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' B' ' 398' ' ' GLU . 24.8 mp0 -47.15 117.45 4.78 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -46.91 -33.82 15.1 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.832 2.355 . . . . 0.0 112.194 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 98.2 t -66.79 -55.79 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 10.0 tp -54.74 -47.02 74.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 68.1 tp -62.89 -34.56 77.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -62.82 -47.95 81.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.531 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.73 -43.46 75.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -50.26 -49.65 52.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.596 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -61.18 -32.3 72.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -35.31 65.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.53 -49.25 67.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 409' ' ' ILE . . . . . 0.45 HG23 ' N ' ' B' ' 410' ' ' SER . 12.0 tt -61.45 -39.73 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.557 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 410' ' ' SER . . . . . 0.45 ' N ' HG23 ' B' ' 409' ' ' ILE . 86.5 p -65.24 -34.93 79.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 411' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' B' ' 412' ' ' GLU . 7.9 tp10 -67.67 -23.84 65.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' B' ' 411' ' ' GLU . 0.1 OUTLIER 79.7 47.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.573 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 0.667 ' O ' HG23 ' B' ' 413' ' ' ILE . 8.1 tp -94.17 30.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.558 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 0.792 ' O ' ' N ' ' B' ' 416' ' ' SER . 4.5 pt-20 -136.56 -108.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 415' ' ' LEU . . . . . 0.606 ' O ' ' C ' ' B' ' 416' ' ' SER . 2.0 pp -22.55 -36.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.792 ' N ' ' O ' ' B' ' 414' ' ' GLU . 0.7 OUTLIER -20.48 -51.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.649 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 417' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' B' ' 415' ' ' LEU . 1.6 mpp_? -92.05 -81.32 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 418' ' ' LEU . . . . . 0.984 ' H ' HD13 ' B' ' 418' ' ' LEU . 0.0 OUTLIER -76.29 -176.26 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.612 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -109.8 90.23 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 420' ' ' GLU . . . . . 0.477 ' O ' ' OD1' ' B' ' 422' ' ' ASP . 1.5 mp0 51.96 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.672 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 421' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' B' ' 420' ' ' GLU . 0.2 OUTLIER 40.38 -162.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' B' ' 420' ' ' GLU . 2.6 m-20 67.81 -137.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.479 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.77 -79.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.551 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 424' ' ' ASN . . . . . 0.422 ' HB2' HH22 ' B' ' 390' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 2' ' ' THR . 2.1 t -84.01 158.79 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.689 HG21 ' OE2' ' A' ' 72' ' ' GLU . 85.9 t -132.69 119.48 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.631 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -127.39 172.05 10.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -161.44 134.74 6.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.539 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.45 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -79.6 129.34 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.665 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.1 t -129.9 123.62 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 5.6 mp0 -80.47 126.38 31.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.1 mt -89.85 104.84 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.0 p -82.89 58.77 4.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.421 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 61.53 22.44 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' HD2' ' H ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -162.55 101.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.67 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.74 3.43 1.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.489 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.624 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 119.46 62.97 0.27 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.578 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.8 OUTLIER 81.08 -162.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 110.436 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 23.2 t-80 -53.25 -102.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.556 ' N ' ' CG ' ' A' ' 16' ' ' HIS . . . -132.02 -1.38 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.51 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -40.21 -53.56 5.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.674 ' O ' HD23 ' A' ' 23' ' ' LEU . 51.2 Cg_exo -48.22 -51.71 9.6 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.805 2.336 . . . . 0.0 112.115 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -62.97 -44.12 96.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.662 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.475 ' SD ' HD12 ' B' ' 244' ' ' LEU . 0.2 OUTLIER -67.66 -41.4 83.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.498 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -62.98 -37.08 85.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.748 HD21 HG23 ' A' ' 79' ' ' VAL . 1.4 mm? -50.19 -46.57 54.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.526 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.65 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -55.35 -39.23 69.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -74.31 -33.45 63.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.625 HD22 ' CE1' ' A' ' 30' ' ' PHE . 84.9 mt -67.74 -44.19 78.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.498 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.9 mtp -54.73 -33.9 61.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.556 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.65 ' OE1' ' O ' ' A' ' 24' ' ' PHE . 5.7 mp0 -78.92 -33.74 45.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.95 -35.13 31.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.625 ' CE1' HD22 ' A' ' 26' ' ' LEU . 13.9 m-30 -102.09 159.06 15.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 0.0 110.515 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.851 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -102.12 92.09 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.749 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 170.76 158.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.538 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -102.34 128.01 49.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.676 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.04 134.92 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.538 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.862 HD21 ' NE ' ' A' ' 37' ' ' ARG . 3.6 tp -136.5 135.62 38.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.631 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 4.1 mp -106.22 150.82 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.862 ' NE ' HD21 ' A' ' 35' ' ' LEU . 23.2 mtt180 -147.39 135.19 21.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.537 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.426 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 11.4 m120 -91.85 155.94 17.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -52.94 -28.19 22.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 6.7 mp0 -67.76 -11.04 57.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.518 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.49 11.82 59.05 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 38' ' ' ASN . 30.5 p -84.53 116.82 23.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.717 0.294 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -77.91 103.15 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.547 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.645 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.29 65.52 7.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.639 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -40.67 120.96 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.581 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.631 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -62.69 -9.82 10.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -100.18 28.23 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.92 123.38 11.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.57 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' B' ' 248' ' ' LEU . 2.2 p -63.45 -35.87 74.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.403 HG22 ' H ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -61.7 -37.02 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.603 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.645 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.92 -41.62 91.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.58 HD22 ' HB1' ' A' ' 20' ' ' ALA . 88.2 mt -59.33 -38.16 79.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.619 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.911 HD23 ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -65.81 -36.17 82.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.911 ' N ' HD23 ' A' ' 53' ' ' LEU . 3.2 tpp -67.93 -35.76 78.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.9 tt -64.09 -35.38 80.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -53.03 -34.95 58.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.446 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.5 p -76.43 -6.8 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.96 29.4 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 5.8 ptpt -69.65 97.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.599 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.85 5.17 38.9 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.422 HH21 ' HD2' ' A' ' 61' ' ' ARG . 6.9 mmm180 -106.4 165.0 11.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.414 ' OE1' ' OG1' ' A' ' 6' ' ' THR . 12.5 tt0 -97.33 143.81 27.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.693 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -130.56 161.85 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.472 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.693 ' N ' HG13 ' A' ' 63' ' ' ILE . 5.6 mm-40 -124.32 101.07 6.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.35 129.26 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -121.48 139.47 53.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.9 130.57 27.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.601 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.749 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 5.9 p -121.62 141.29 51.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.15 -177.15 19.16 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.851 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.9 Cg_endo -72.16 -37.14 4.92 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.863 2.375 . . . . 0.0 112.18 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' GLU . 50.9 mm-40 -98.26 3.6 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.596 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.689 ' OE2' HG21 ' A' ' 3' ' ' VAL . 1.3 pp20? -36.07 -41.79 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.562 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 17.1 pt-20 -58.62 -49.3 77.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 11.9 tp10 -58.91 -51.9 68.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.53 -49.43 72.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.851 ' O ' HG12 ' A' ' 79' ' ' VAL . 1.7 tt -64.68 -44.05 91.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.505 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.14 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.7 98.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 76' ' ' LEU . 1.0 OUTLIER -66.63 -42.32 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.539 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -64.65 -41.57 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.453 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.506 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.31 -36.77 84.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.513 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.0 -37.58 66.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.443 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -69.67 -32.02 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.656 ' O ' ' HB2' ' A' ' 85' ' ' SER . 80.4 m-20 -82.29 -5.69 58.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.656 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 71.6 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.59 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 170' ' ' ARG . . . . . 0.405 HH21 ' HD3' ' B' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 171' ' ' ILE . . . . . 0.452 HD12 HD11 ' B' ' 374' ' ' ILE . 70.6 mt -89.6 118.23 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -57.51 128.7 38.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.533 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -142.38 157.6 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.589 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.57 112.8 34.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.76 116.75 4.84 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.912 2.408 . . . . 0.0 112.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -90.04 -33.84 16.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.472 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.03 109.17 7.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.34 145.1 8.74 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.853 2.368 . . . . 0.0 112.051 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 179' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 131.98 171.92 12.94 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 9.8 p -129.06 145.06 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -138.36 140.93 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 182' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 25.1 pt -128.4 129.52 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.473 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.547 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 171.77 174.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 184' ' ' GLU . . . . . 0.49 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 25.6 mp0 -72.69 161.17 31.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.619 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -104.29 122.58 7.41 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -118.48 133.07 56.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 187' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' B' ' 187' ' ' GLN . 0.0 OUTLIER -67.35 132.45 47.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.795 ' HB2' ' HB2' ' B' ' 327' ' ' ALA . 50.3 t0 -57.94 136.5 57.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.457 ' N ' ' OD1' ' B' ' 188' ' ' ASP . . . -57.46 -13.82 4.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.482 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 12.7 m -62.68 105.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 7.2 mt -130.4 158.75 73.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -72.61 129.78 15.09 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.85 2.367 . . . . 0.0 112.07 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.94 ' H ' HD13 ' B' ' 193' ' ' LEU . 0.0 OUTLIER -92.36 11.6 25.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 11.9 tpp -69.56 -38.93 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -96.8 -17.72 20.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -65.73 -38.69 89.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.564 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' B' ' 198' ' ' TYR . 5.4 p -61.34 144.25 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 198' ' ' TYR . . . . . 0.525 ' O ' ' NE2' ' B' ' 199' ' ' GLN . 1.3 t80 172.33 84.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 199' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 198' ' ' TYR . 5.4 mp0 -131.49 168.28 17.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -70.42 -167.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 20.0 t -118.21 89.21 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 17.8 m -144.19 123.17 12.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.593 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 0.495 ' C ' ' OD1' ' B' ' 204' ' ' ASP . 0.8 OUTLIER -87.56 145.06 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.613 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.938 ' O ' ' CB ' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -154.32 98.19 2.55 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -71.97 -21.47 24.31 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.884 2.39 . . . . 0.0 112.102 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -94.41 -62.26 1.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.02 -37.32 87.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.938 ' CB ' ' O ' ' B' ' 204' ' ' ASP . 1.7 tp10 -68.92 -59.22 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -49.75 -53.54 24.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.01 -39.88 87.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.403 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.535 HH22 ' CD ' ' B' ' 269' ' ' GLU . 2.3 ttt180 -55.57 -39.92 71.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -49.6 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.387 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 52.2 m -53.42 -50.16 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.474 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.45 -37.37 94.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.74 66.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 110.393 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.9 tt -61.46 -50.85 71.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.477 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 68.4 mm-40 -54.36 -38.63 66.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.394 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.14 -34.49 66.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.472 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -84.59 -48.25 9.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.503 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -60.34 -49.23 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 89.3 m-20 -61.7 -36.9 82.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.609 ' OE2' ' CD1' ' B' ' 226' ' ' TYR . 2.6 tm-20 -67.25 -34.6 77.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.412 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.76 -40.0 72.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.442 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 224' ' ' ARG . . . . . 0.6 ' NE ' ' OG ' ' B' ' 246' ' ' SER . 81.6 mtt85 -59.77 -43.9 94.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.501 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 225' ' ' ARG . . . . . 0.405 ' O ' ' HD3' ' B' ' 229' ' ' ARG . 0.6 OUTLIER -73.28 -35.46 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.676 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.2 OUTLIER -57.43 -58.07 9.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.411 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 227' ' ' SER . . . . . 0.636 ' CB ' ' CB ' ' B' ' 242' ' ' PHE . 98.1 p -61.76 -48.26 81.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.476 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -49.49 -40.97 39.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.39 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 229' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' B' ' 225' ' ' ARG . 0.7 OUTLIER -67.96 -42.37 81.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.67 ' O ' ' N ' ' B' ' 234' ' ' ALA . 3.4 m-85 -67.98 -42.16 81.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.61 -38.86 70.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.29 -13.49 2.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 233' ' ' GLY . . . . . 0.967 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -148.31 -65.64 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.967 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -28.83 -125.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.56 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.589 HE22 HG23 ' B' ' 238' ' ' THR . 0.0 OUTLIER -139.61 175.01 9.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -68.79 -20.71 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -54.65 -47.3 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.589 HG23 HE22 ' B' ' 235' ' ' GLN . 4.6 p -71.07 -44.41 65.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -58.57 -41.86 86.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.26 77.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.52 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.657 ' CG2' ' N ' ' B' ' 242' ' ' PHE . 1.7 tt -63.5 -50.13 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.603 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.678 ' CG ' ' N ' ' B' ' 243' ' ' ASP . 0.0 OUTLIER -52.23 -57.67 8.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.678 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -43.35 -42.15 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.514 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 0.577 ' O ' HD23 ' B' ' 244' ' ' LEU . 7.0 tt -75.57 -38.89 58.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.618 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -48.24 81.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 246' ' ' SER . . . . . 0.6 ' OG ' ' NE ' ' B' ' 224' ' ' ARG . 1.4 t -50.67 -46.08 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' B' ' 244' ' ' LEU . 0.0 OUTLIER -68.61 -32.32 72.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.611 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 65.2 tp -66.98 -49.05 66.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.667 HD21 HD21 ' B' ' 301' ' ' LEU . 8.3 mt -70.55 -40.21 73.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 83.7 p -79.8 -1.23 37.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.716 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 0.1 OUTLIER -65.99 125.03 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.559 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 252' ' ' THR . . . . . 0.427 HG23 ' H ' ' B' ' 252' ' ' THR . 0.2 OUTLIER -65.56 -1.66 2.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.55 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.659 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 20.1 mmm180 -78.24 -45.94 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 254' ' ' LEU . . . . . 0.853 ' O ' HD12 ' B' ' 258' ' ' LEU . 2.0 tp -80.73 -33.03 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.45 HH21 ' HD3' ' B' ' 255' ' ' ARG . 21.8 ttp180 -63.26 -49.25 74.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.744 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 256' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' B' ' 257' ' ' GLU . 9.5 ptm180 -64.93 -38.55 91.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' B' ' 256' ' ' ARG . 13.1 mt-10 -52.56 -51.11 61.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.605 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.853 HD12 ' O ' ' B' ' 254' ' ' LEU . 1.2 mt -58.31 -56.08 26.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 259' ' ' PHE . . . . . 0.58 ' N ' ' CD2' ' B' ' 259' ' ' PHE . 6.1 m-30 -57.2 -34.17 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.46 94.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.592 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.11 -43.57 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.638 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 262' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' B' ' 208' ' ' GLU . 75.5 t -66.48 -39.57 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.33 -11.19 5.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.76 -17.23 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.547 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 117.94 17.96 5.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 57.1 m -97.99 159.24 15.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.65 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.42 146.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.619 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' B' ' 269' ' ' GLU . . . -54.97 -49.71 70.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.535 ' CD ' HH22 ' B' ' 211' ' ' ARG . 4.0 mp0 -38.09 -52.74 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.629 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -75.55 -43.33 49.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.89 ' O ' HG12 ' B' ' 275' ' ' VAL . . . -58.15 -44.89 88.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.621 ' O ' HG12 ' B' ' 276' ' ' ILE . 95.1 t -60.08 -37.31 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.586 ' O ' ' CG ' ' B' ' 277' ' ' GLU . 17.9 ttpt -82.94 -33.47 26.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.7 m -70.89 -53.93 13.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.63 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.89 HG12 ' O ' ' B' ' 271' ' ' ALA . 7.2 p -51.97 -58.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.739 ' H ' HG13 ' B' ' 275' ' ' VAL . 1.8 pp -60.08 -44.25 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.586 ' CG ' ' O ' ' B' ' 273' ' ' LYS . 39.8 mm-40 -59.26 -42.82 92.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -67.05 -35.03 78.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -75.91 -24.72 55.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.556 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.13 82.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.5 -28.99 30.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -62.96 -45.54 91.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 6.7 m-30 -69.58 -40.24 76.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.576 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 284' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -58.0 -47.04 84.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.63 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 285' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -32.94 -31.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 284' ' ' ALA . 1.7 mm? -77.32 178.25 7.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.465 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 83.7 p -121.87 -6.78 9.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.622 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' B' ' 292' ' ' LYS . 77.5 m-20 -68.33 108.77 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -60.92 -30.36 70.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -55.32 -42.41 73.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' B' ' 291' ' ' LEU . 0.4 OUTLIER -112.27 -43.88 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.579 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.635 ' N ' ' O ' ' B' ' 288' ' ' ASP . 15.2 tttp -48.65 -52.49 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.94 -40.94 95.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 294' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -56.39 -28.25 58.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 295' ' ' ALA . . . . . 0.516 ' O ' ' HB2' ' B' ' 298' ' ' LEU . . . -42.47 -45.92 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.407 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -43.15 -35.02 2.33 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -58.81 -38.95 79.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.47 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 298' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' B' ' 295' ' ' ALA . 0.8 OUTLIER -50.18 -53.15 29.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.488 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 299' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 5.3 tmm_? -53.12 -42.67 66.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.303 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -68.98 -34.62 75.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.302 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.667 HD21 HD21 ' B' ' 249' ' ' LEU . 7.4 tt -56.93 -45.01 83.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.412 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -57.36 -40.92 92.78 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -37.54 83.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.35 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.455 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 1.7 tpt180 -65.98 -41.62 90.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.342 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 305' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' B' ' 309' ' ' LEU . 0.5 OUTLIER -70.79 -39.98 72.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.391 179.744 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 306' ' ' LEU . . . . . 0.596 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.8 OUTLIER -63.19 -41.05 99.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.322 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -62.63 -45.47 92.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.301 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -76.0 -21.33 57.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.357 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 10.2 tp -64.65 -19.01 65.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.577 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.596 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 3.5 m-20 -108.96 116.56 32.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -11.75 34.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.557 ' O ' ' O ' ' B' ' 313' ' ' ASN . . . -87.93 -11.38 47.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.576 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.557 ' O ' ' O ' ' B' ' 312' ' ' ALA . 81.3 m-20 55.13 130.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.67 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -123.36 164.98 17.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.512 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 49.84 69.52 1.03 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -72.8 159.03 49.28 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.771 2.314 . . . . 0.0 112.088 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 317' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' B' ' 318' ' ' ALA . 0.8 OUTLIER -104.23 -48.25 3.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 318' ' ' ALA . . . . . 0.941 ' O ' ' HD3' ' B' ' 320' ' ' PRO . . . 65.42 96.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.655 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' B' ' 319' ' ' TRP . 0.4 OUTLIER -36.74 86.41 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 0.941 ' HD3' ' O ' ' B' ' 318' ' ' ALA . 46.0 Cg_endo -71.96 -174.24 1.29 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.83 2.353 . . . . 0.0 112.136 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 321' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' B' ' 322' ' ' ARG . 17.9 pt-20 -95.21 -53.63 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.442 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.692 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 9.2 ptm180 -166.6 135.48 2.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.692 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 56.3 m-85 -159.79 165.8 31.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.596 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.547 HG13 ' HB3' ' B' ' 183' ' ' ALA . 78.0 mt -107.76 138.6 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.567 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' B' ' 325' ' ' LEU . 21.8 tp -83.99 118.23 23.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' B' ' 376' ' ' PRO . 10.9 t -123.6 87.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.795 ' HB2' ' HB2' ' B' ' 188' ' ' ASP . . . -120.53 142.25 49.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 328' ' ' ASP . . . . . 0.486 ' O ' ' OD1' ' B' ' 350' ' ' ASP . 3.0 p-10 -58.38 -29.29 65.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.589 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -144.22 117.03 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.454 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 19.8 tp -85.63 129.29 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.647 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 27.8 t -134.54 141.79 46.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.24 -40.12 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 77.5 m -56.17 -44.88 79.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 79.5 p -71.47 -54.95 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.607 ' O ' HD23 ' B' ' 335' ' ' LEU . 1.1 tt -49.74 -37.92 31.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 336' ' ' ALA . . . . . 0.676 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -71.95 13.85 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' B' ' 335' ' ' LEU . 37.4 tt0 -99.45 -34.6 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.624 ' N ' HD23 ' B' ' 338' ' ' LEU . 0.3 OUTLIER -112.05 151.71 43.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -72.87 141.73 33.98 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.802 2.335 . . . . 0.0 112.117 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -66.59 -14.35 62.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.554 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.781 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 38.9 p-10 -62.13 -44.04 97.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.598 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.781 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 0.1 OUTLIER -80.52 -24.86 39.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.519 HD21 HG23 ' B' ' 346' ' ' VAL . 6.2 tt -67.39 105.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.66 ' O ' HG12 ' B' ' 344' ' ' VAL . 33.5 t -115.44 16.38 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.637 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 170.25 160.45 18.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.519 HG23 HD21 ' B' ' 343' ' ' LEU . 34.9 t -145.67 143.87 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.317 . . . . 0.0 110.604 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 4.2 p -162.48 133.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.478 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.52 HG22 ' SD ' ' B' ' 370' ' ' MET . 10.9 m -123.88 163.01 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -89.37 -48.69 7.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.504 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.613 ' O ' ' C ' ' B' ' 351' ' ' GLY . 3.6 p30 -121.84 -23.2 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.5 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.613 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . -19.4 132.47 0.01 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -78.93 134.37 36.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.571 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.03 -19.65 64.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -94.39 6.8 47.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 355' ' ' SER . . . . . 0.472 ' HG ' ' HB2' ' B' ' 358' ' ' ALA . 84.3 p -70.14 164.98 23.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.584 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -45.18 92.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 357' ' ' ALA . . . . . 0.454 ' O ' HG22 ' B' ' 361' ' ' VAL . . . -69.67 -30.53 68.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.613 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 358' ' ' ALA . . . . . 0.472 ' HB2' ' HG ' ' B' ' 355' ' ' SER . . . -61.61 -46.75 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 46.2 pt -76.71 -21.29 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 360' ' ' MET . . . . . 0.531 ' HG3' HE21 ' B' ' 235' ' ' GLN . 7.4 ttt -63.17 -55.94 20.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.456 ' H ' HG22 ' B' ' 361' ' ' VAL . 4.2 m -66.88 -41.69 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -54.31 -51.37 64.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.674 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -72.76 -22.83 60.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.541 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 364' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 364' ' ' LEU . 32.9 tp -71.74 -29.62 64.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.66 25.2 18.76 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 3.8 mm -106.52 124.04 36.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -47.73 130.68 19.23 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.749 2.3 . . . . 0.0 112.148 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 97.1 m -146.02 143.01 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.513 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 369' ' ' VAL . . . . . 0.585 ' O ' ' SD ' ' B' ' 370' ' ' MET . 2.3 t -124.8 150.98 29.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.585 ' SD ' ' O ' ' B' ' 369' ' ' VAL . 0.0 OUTLIER -130.28 155.79 45.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.621 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 90.46 2.51 73.17 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -49.48 109.59 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 110.507 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -91.03 55.74 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.452 HD11 HD12 ' B' ' 171' ' ' ILE . 1.0 OUTLIER -143.98 130.48 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.484 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.434 ' O ' HD23 ' B' ' 379' ' ' LEU . 26.9 mp0 -68.08 133.46 91.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 376' ' ' PRO . . . . . 0.484 ' HB3' ' O ' ' B' ' 326' ' ' VAL . 51.0 Cg_endo -72.83 -27.56 14.51 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.82 2.347 . . . . 0.0 112.128 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 83.7 p -71.98 -14.83 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.64 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 378' ' ' VAL . . . . . 0.576 HG12 ' O ' ' B' ' 378' ' ' VAL . 47.6 t -100.45 0.24 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.529 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' B' ' 380' ' ' HIS . 3.7 mm? -104.44 4.1 32.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.637 ' C ' ' O ' ' B' ' 379' ' ' LEU . 6.6 t-160 15.79 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' B' ' 379' ' ' LEU . 35.8 ptt180 -144.98 29.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -66.36 169.69 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 93.9 m -77.01 129.19 35.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.609 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' B' ' 384' ' ' LEU . 7.3 mt -127.43 142.98 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 83.2 mt -130.39 102.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.59 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 22.7 t -95.0 132.04 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' B' ' 391' ' ' GLY . 67.5 t0 -124.56 88.04 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 388' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -58.61 -35.89 82.94 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -49.7 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -90.88 -13.36 33.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 59.46 61.93 6.72 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.29 170.12 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.616 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.8 127.04 45.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.519 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' B' ' 397' ' ' PRO . 5.6 mt -112.26 159.93 18.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.706 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 48.2 t -133.8 119.78 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.577 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.6 OUTLIER 22.47 52.72 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.706 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 52.1 Cg_endo -72.41 157.86 52.36 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.904 2.403 . . . . 0.0 112.132 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 398' ' ' GLU . . . . . 0.572 ' CD ' HD13 ' B' ' 401' ' ' LEU . 7.4 pt-20 -45.98 142.32 3.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.74 -6.45 19.16 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.868 2.379 . . . . 0.0 112.154 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 43.1 t -74.64 -39.09 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.588 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 401' ' ' LEU . . . . . 0.572 HD13 ' CD ' ' B' ' 398' ' ' GLU . 5.8 mp -61.29 -48.35 81.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.562 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 402' ' ' LEU . . . . . 0.585 HD22 ' N ' ' B' ' 402' ' ' LEU . 3.4 mm? -62.46 -36.14 81.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -55.77 -62.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.34 -44.61 65.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -50.37 61.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -60.64 -35.96 77.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -76.87 -32.48 57.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.539 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' B' ' 411' ' ' GLU . 50.4 tp -75.0 -44.4 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.593 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 6.1 mm -58.07 -42.4 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 91.2 p -73.79 -16.2 61.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 411' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' B' ' 408' ' ' LEU . 4.9 tt0 -58.5 -74.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 412' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 179.56 41.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 0.46 HG22 ' O ' ' B' ' 413' ' ' ILE . 37.1 mm -108.78 53.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.53 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' B' ' 415' ' ' LEU . 0.8 OUTLIER -129.48 104.38 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 415' ' ' LEU . . . . . 0.541 ' O ' ' C ' ' B' ' 416' ' ' SER . 6.6 mt -28.31 -45.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.541 ' C ' ' O ' ' B' ' 415' ' ' LEU . 40.6 t -28.5 -43.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.525 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 417' ' ' ARG . . . . . 0.666 ' O ' ' N ' ' B' ' 419' ' ' ALA . 0.0 OUTLIER -129.67 -2.91 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.605 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 53.82 -73.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.567 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 419' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' B' ' 417' ' ' ARG . . . -151.88 143.6 23.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.487 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -93.86 60.65 2.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.547 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -141.16 -179.23 5.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.591 ' C ' ' H ' ' B' ' 424' ' ' ASN . 41.7 t0 -82.52 179.76 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 423' ' ' VAL . . . . . 0.422 ' H ' HG23 ' B' ' 423' ' ' VAL . 2.3 t -58.1 2.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.519 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 424' ' ' ASN . . . . . 0.591 ' H ' ' C ' ' B' ' 422' ' ' ASP . 3.5 m120 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HG2' ' H ' ' A' ' 2' ' ' THR . 2.5 ttm . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.425 ' H ' ' HG2' ' A' ' 1' ' ' MET . 5.1 t -83.19 160.7 21.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.558 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 3' ' ' VAL . 3.0 p -134.91 118.88 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -126.36 173.86 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.623 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.699 ' O ' ' CD ' ' A' ' 5' ' ' GLN . 3.9 pp0? -161.98 135.64 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.496 HG22 ' OE2' ' A' ' 8' ' ' GLU . 61.9 m -82.56 125.83 31.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.62 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.582 HG23 ' OE1' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -126.68 125.05 66.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.497 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.522 ' OE1' ' OE1' ' A' ' 62' ' ' GLN . 4.4 mm-40 -81.46 124.89 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.12 HG21 ' O ' ' A' ' 58' ' ' ALA . 15.7 tt -88.52 105.74 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.718 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.5 OUTLIER -82.68 54.0 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 65.27 24.08 12.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.689 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -163.8 96.8 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.712 ' CD1' ' HG2' ' A' ' 19' ' ' PRO . 2.1 pp -61.42 -2.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 151.92 -135.59 5.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.874 0.369 . . . . 0.0 110.468 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.541 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -166.73 78.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.456 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.626 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 70.73 -16.29 0.34 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.52 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.873 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.9 mtp180 -60.82 -37.41 44.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.873 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 30.9 Cg_endo -66.74 -39.48 15.13 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.711 2.274 . . . . 0.0 111.988 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -71.11 -36.81 72.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.2 tpt -76.21 -38.35 56.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -64.39 -34.56 78.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -43.69 64.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.654 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 18.7 m-85 -58.25 -35.48 71.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.453 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.91 -34.93 57.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.647 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.903 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 38.1 mt -69.48 -38.7 77.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.651 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.845 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 5.8 ttt -59.65 -29.42 68.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.632 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -86.45 -29.01 23.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.56 -25.95 37.32 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.903 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.4 p90 -118.96 136.18 54.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.748 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 42.0 m-20 -78.33 111.15 14.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.613 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.79 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 155.76 147.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.44 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -97.81 127.98 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.033 ' C ' HD22 ' A' ' 35' ' ' LEU . 55.2 t -106.34 132.15 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.455 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.033 HD22 ' C ' ' A' ' 34' ' ' VAL . 2.7 mm? -132.83 138.31 47.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.557 HD22 HG22 ' A' ' 65' ' ' VAL . 26.0 mt -108.59 150.22 27.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.532 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.408 HH21 ' HD3' ' A' ' 37' ' ' ARG . 16.2 ttp-105 -149.02 135.15 19.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.674 ' HA ' HG22 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -91.92 155.95 17.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 49.3 p-10 -52.72 -26.79 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 30.7 tt0 -68.41 -9.84 51.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.23 12.04 60.46 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.3 m -85.42 116.87 23.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 110.568 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.9 103.55 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.645 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.6 65.44 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -40.73 121.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.586 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.591 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.06 -10.22 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -99.66 27.84 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.67 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.8 123.79 12.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.495 HG21 HD21 ' B' ' 248' ' ' LEU . 14.9 p -63.67 -35.83 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.6 HD12 ' OE1' ' B' ' 282' ' ' GLN . 0.1 OUTLIER -61.67 -36.62 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.645 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.59 -43.03 90.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.701 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -58.42 -39.27 79.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HG ' ' HB3' ' B' ' 291' ' ' LEU . 7.7 mp -64.12 -36.27 83.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.593 ' O ' ' SD ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -68.71 -36.27 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.643 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.8 tt -63.3 -35.43 80.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.479 ' C ' ' OD2' ' B' ' 288' ' ' ASP . 73.6 m-20 -53.0 -35.1 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.587 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -76.16 -6.78 52.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.638 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.12 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -83.2 29.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.11 97.37 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.943 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 105.16 6.35 39.48 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 1.006 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -106.37 165.71 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.648 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.522 ' OE1' ' OE1' ' A' ' 8' ' ' GLU . 8.2 mm-40 -99.03 143.08 29.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.495 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.674 HG22 ' HA ' ' A' ' 38' ' ' ASN . 23.2 pt -130.84 163.09 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.638 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -124.55 100.71 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.557 HG22 HD22 ' A' ' 36' ' ' LEU . 46.5 t -80.58 127.32 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.531 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -120.0 138.3 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.432 ' O ' HG12 ' A' ' 3' ' ' VAL . . . -137.11 131.35 32.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.555 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.69 129.14 49.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.648 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.489 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.28 161.32 8.72 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -46.55 -45.72 18.93 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.791 2.328 . . . . 0.0 112.201 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' GLU . 25.6 mt-30 -93.07 5.25 52.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.569 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 15.8 pt-20 -35.97 -37.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -63.5 -49.01 75.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.654 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -57.38 -51.76 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.527 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.91 -49.89 70.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -64.86 -43.78 91.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.39 99.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.49 99.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 75' ' ' ALA . 77.8 t -67.35 -42.17 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.653 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.515 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -65.02 -41.23 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.554 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.473 ' N ' ' CG2' ' A' ' 80' ' ' ILE . . . -64.27 -35.47 80.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.508 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -73.42 -37.93 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.9 m-30 -70.07 -32.52 70.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 80' ' ' ILE . 72.2 m-80 -81.43 -6.75 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.555 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 48.6 mm -118.89 132.0 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -86.77 107.47 18.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 1.034 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -115.96 150.25 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.46 118.63 55.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.18 102.0 1.3 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.825 2.35 . . . . 0.0 112.119 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 176' ' ' ALA . . . . . 0.486 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -72.1 -24.91 61.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -155.11 135.31 8.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.583 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -72.68 144.87 40.38 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.798 2.332 . . . . 0.0 112.115 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 143.16 152.17 5.61 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 43.9 t -115.76 134.42 59.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.718 0.294 . . . . 0.0 110.585 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -153.0 150.65 29.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 182' ' ' ILE . . . . . 0.524 HG22 HG22 ' B' ' 385' ' ' ILE . 1.8 pp -127.01 131.44 70.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -169.7 178.89 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.631 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 184' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' B' ' 184' ' ' GLU . 0.3 OUTLIER -96.26 162.06 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -78.82 138.82 21.37 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -146.65 147.05 30.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.742 0.306 . . . . 0.0 110.603 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -104.63 135.64 45.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -62.11 152.99 31.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.411 ' O ' ' CD2' ' B' ' 191' ' ' LEU . . . -85.15 -3.36 58.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.55 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.9 103.87 16.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.619 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 191' ' ' LEU . . . . . 0.862 ' N ' HD23 ' B' ' 191' ' ' LEU . 1.3 pt? -132.67 163.51 50.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.598 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.657 ' C ' HD22 ' B' ' 193' ' ' LEU . 53.6 Cg_endo -73.23 129.89 14.57 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.776 2.318 . . . . 0.0 112.126 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.671 ' O ' HG13 ' B' ' 197' ' ' VAL . 4.5 mm? -110.89 16.6 21.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.481 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 194' ' ' MET . . . . . 0.713 ' O ' HG22 ' B' ' 197' ' ' VAL . 63.0 mtm -65.52 -39.72 92.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.502 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 52.6 mp0 -82.42 6.38 17.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 196' ' ' GLN . . . . . 0.466 ' OE1' HD12 ' B' ' 193' ' ' LEU . 2.1 tt0 -112.79 1.39 15.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.713 HG22 ' O ' ' B' ' 194' ' ' MET . 5.3 m -93.4 133.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -91.96 153.27 19.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -88.67 128.83 35.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.578 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -131.43 173.9 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 3.4 m -161.28 90.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.621 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.2 120.84 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.646 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 2.1 mt -46.75 114.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.604 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 24.6 p-10 -153.41 63.36 4.53 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.607 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 44.8 Cg_endo -71.97 -43.9 1.07 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.836 2.357 . . . . 0.0 112.137 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.02 81.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 207' ' ' LEU . . . . . 0.524 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 10.1 mp -79.18 -44.54 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 68.8 mm-40 -71.63 -56.13 6.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.644 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 209' ' ' ARG . . . . . 0.607 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 4.1 tmt_? -43.65 -52.39 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -68.74 -33.12 73.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.468 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.656 ' NE ' ' CD1' ' B' ' 309' ' ' LEU . 40.4 ttt180 -55.62 -45.19 77.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 9.5 mt -66.67 -49.68 65.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.461 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 213' ' ' THR . . . . . 0.418 ' OG1' ' CZ ' ' B' ' 255' ' ' ARG . 95.4 m -56.3 -52.27 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.42 -37.54 93.36 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -73.02 -44.51 60.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.741 0.305 . . . . 0.0 110.478 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' B' ' 220' ' ' ALA . 39.3 mt -59.56 -57.69 11.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.53 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.542 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 0.7 OUTLIER -49.81 -32.2 13.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 218' ' ' GLU . . . . . 0.505 ' N ' ' HG3' ' B' ' 217' ' ' GLU . 29.9 tt0 -79.18 -31.67 43.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 219' ' ' ALA . . . . . 0.515 ' HB2' ' ND1' ' B' ' 308' ' ' HIS . . . -89.51 -50.55 6.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.47 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.03 -49.55 73.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.522 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' B' ' 225' ' ' ARG . 73.8 m-20 -63.82 -34.79 78.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.493 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.431 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 5.7 tm-20 -70.39 -31.89 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.538 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -58.17 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 224' ' ' ARG . . . . . 0.527 ' NH1' ' OD1' ' B' ' 221' ' ' ASN . 14.0 ptt180 -65.83 -26.21 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 225' ' ' ARG . . . . . 0.74 ' HE ' HH12 ' B' ' 229' ' ' ARG . 20.0 mmm-85 -74.32 -44.21 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' B' ' 222' ' ' GLU . 0.2 OUTLIER -67.58 -44.36 78.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.492 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 227' ' ' SER . . . . . 0.485 ' HB3' ' HB3' ' B' ' 242' ' ' PHE . 90.1 p -59.85 -48.72 80.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.465 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -39.69 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 229' ' ' ARG . . . . . 0.74 HH12 ' HE ' ' B' ' 225' ' ' ARG . 1.1 mpp_? -69.81 -41.77 74.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.53 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.538 ' O ' ' N ' ' B' ' 234' ' ' ALA . 0.1 OUTLIER -65.17 -42.17 93.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.404 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 231' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -54.24 -36.31 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.488 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.3 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -123.54 -60.78 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -58.67 -163.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 110.629 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.497 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 0.8 OUTLIER -94.39 -170.45 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 236' ' ' LYS . . . . . 0.497 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 60.1 tttp -75.38 -38.69 59.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -40.51 -53.43 2.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.538 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.562 HG22 ' SD ' ' B' ' 360' ' ' MET . 21.8 p -50.99 -56.73 11.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 239' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -57.87 -46.97 84.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.546 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.683 ' O ' ' OD1' ' B' ' 243' ' ' ASP . . . -61.83 -37.64 85.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.629 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.478 HD13 ' OE1' ' B' ' 356' ' ' GLN . 55.9 mt -73.9 -55.43 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.669 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' B' ' 245' ' ' TYR . 10.3 m-85 -61.63 -63.19 1.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.683 ' OD1' ' O ' ' B' ' 240' ' ' ALA . 7.9 p-10 -36.27 -40.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 0.631 ' N ' ' OD1' ' B' ' 243' ' ' ASP . 18.8 tp -71.16 -41.58 70.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.693 ' HA ' HD22 ' B' ' 248' ' ' LEU . 0.4 OUTLIER -65.29 -40.65 94.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.681 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 29.1 t -47.55 -42.3 23.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' B' ' 251' ' ' ASP . 15.6 t60 -68.51 -24.87 64.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.693 HD22 ' HA ' ' B' ' 245' ' ' TYR . 4.3 mp -65.29 -51.06 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.565 ' HG ' HD11 ' B' ' 301' ' ' LEU . 5.5 mp -61.82 -43.96 97.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 20.4 p -83.99 -6.72 59.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.682 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' B' ' 247' ' ' HIS . 39.9 t0 -49.17 109.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.646 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.89 -17.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.607 HH21 ' HB2' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -75.73 -55.07 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -47.19 86.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.717 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.485 HH12 ' NE ' ' B' ' 209' ' ' ARG . 12.8 ttt85 -57.49 -47.27 82.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 256' ' ' ARG . . . . . 0.658 ' HE ' ' HA ' ' B' ' 256' ' ' ARG . 1.1 tpm_? -51.88 -42.06 62.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -60.17 -45.32 93.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.635 HD23 HG21 ' B' ' 275' ' ' VAL . 14.3 mt -63.12 -46.56 86.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 259' ' ' PHE . . . . . 0.467 ' O ' ' CD1' ' B' ' 259' ' ' PHE . 2.7 t80 -66.11 -34.56 78.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.647 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.97 95.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.18 -37.93 89.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 262' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' B' ' 205' ' ' PRO . 53.5 t -65.02 -38.32 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.25 -11.52 22.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -90.99 -21.1 21.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 118.11 18.25 5.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.7 p -99.87 163.3 12.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 267' ' ' VAL . . . . . 0.533 HG13 ' H ' ' B' ' 270' ' ' TRP . 12.1 p -100.51 148.11 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.49 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.634 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -52.09 -53.23 44.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.531 ' OE1' ' NH2' ' B' ' 211' ' ' ARG . 1.5 mp0 -36.01 -53.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.484 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 270' ' ' TRP . . . . . 0.533 ' H ' HG13 ' B' ' 267' ' ' VAL . 4.3 m95 -83.32 -38.22 22.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.492 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -51.95 -53.65 38.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.614 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.522 HG12 HD13 ' B' ' 258' ' ' LEU . 12.1 m -64.53 -32.49 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.51 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -72.16 -47.79 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.56 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 94.1 m -63.42 -59.29 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.635 HG21 HD23 ' B' ' 258' ' ' LEU . 76.4 t -50.92 -57.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.573 HD13 ' HA2' ' B' ' 302' ' ' GLY . 72.5 mt -54.38 -44.18 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.35 -38.76 88.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -64.07 -36.66 84.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.595 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -35.25 77.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.53 81.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.63 -37.33 79.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 282' ' ' GLN . . . . . 0.6 ' OE1' HD12 ' A' ' 50' ' ' ILE . 3.5 tt0 -65.11 -44.61 88.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 283' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -54.18 -47.0 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.655 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.36 84.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -40.5 -38.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.489 HD13 ' HB3' ' A' ' 53' ' ' LEU . 1.4 mt -64.16 151.33 43.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.596 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.23 -45.29 11.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.648 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.614 ' HB3' HD11 ' B' ' 291' ' ' LEU . 0.4 OUTLIER -41.36 130.3 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 289' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' B' ' 291' ' ' LEU . 0.1 OUTLIER -77.34 -41.11 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.489 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 290' ' ' TYR . . . . . 0.825 ' O ' ' OE2' ' B' ' 293' ' ' GLU . 19.3 t80 -39.94 -27.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.493 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.618 ' O ' ' N ' ' B' ' 294' ' ' ARG . 0.0 OUTLIER -95.84 -49.12 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' B' ' 291' ' ' LEU . 47.9 mttm -31.2 -50.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.387 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 293' ' ' GLU . . . . . 0.825 ' OE2' ' O ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -65.73 -41.37 92.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.444 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' B' ' 291' ' ' LEU . 0.4 OUTLIER -52.85 -35.12 57.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.442 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -46.16 -46.13 17.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.42 -40.88 24.03 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.563 ' HB3' ' CZ ' ' B' ' 245' ' ' TYR . 5.6 m-20 -63.66 -38.25 90.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.409 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -48.5 75.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.351 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 299' ' ' ARG . . . . . 0.536 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 0.2 OUTLIER -51.06 -36.8 41.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.338 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 303' ' ' GLN . . . -65.36 -36.45 84.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.402 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.565 HD11 ' HG ' ' B' ' 249' ' ' LEU . 3.1 tt -52.52 -48.47 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.367 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 302' ' ' GLY . . . . . 0.617 ' O ' HD12 ' B' ' 306' ' ' LEU . . . -60.29 -41.35 98.32 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 303' ' ' GLN . . . . . 0.838 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -70.03 -43.23 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.449 179.751 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.838 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 4.1 mmm180 -65.14 -41.64 94.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.42 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 305' ' ' LEU . . . . . 0.557 ' O ' HD23 ' B' ' 305' ' ' LEU . 0.9 OUTLIER -70.67 -35.81 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.41 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 306' ' ' LEU . . . . . 0.617 HD12 ' O ' ' B' ' 302' ' ' GLY . 9.4 mt -64.21 -39.48 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.44 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 307' ' ' PHE . . . . . 0.672 ' O ' ' CD1' ' B' ' 307' ' ' PHE . 0.1 OUTLIER -67.17 -37.87 84.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.46 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.755 ' ND1' ' O ' ' B' ' 304' ' ' ARG . 42.8 m80 -75.51 -28.19 59.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.48 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.678 ' O ' HD12 ' B' ' 309' ' ' LEU . 0.1 OUTLIER -83.62 -10.05 58.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.938 ' O ' ' N ' ' B' ' 312' ' ' ALA . 38.9 t0 -133.84 71.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.572 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.28 5.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.938 ' N ' ' O ' ' B' ' 310' ' ' ASP . . . -111.41 12.47 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' B' ' 310' ' ' ASP . 2.6 m120 -115.38 93.64 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 314' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' B' ' 313' ' ' ASN . 0.0 OUTLIER 178.21 119.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -57.53 -173.3 0.29 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 316' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' B' ' 318' ' ' ALA . 52.3 Cg_endo -73.27 -28.56 12.38 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.722 2.281 . . . . 0.0 112.132 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 51.82 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 318' ' ' ALA . . . . . 0.773 ' O ' ' HD3' ' B' ' 320' ' ' PRO . . . 61.12 105.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.451 ' C ' ' O ' ' B' ' 318' ' ' ALA . 0.4 OUTLIER -35.5 89.32 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.555 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 0.773 ' HD3' ' O ' ' B' ' 318' ' ' ALA . 44.0 Cg_endo -71.51 176.83 7.51 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.826 2.35 . . . . 0.0 112.083 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -93.18 -48.17 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.65 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 10.6 ptm85 -164.95 151.79 10.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.65 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 26.1 m-85 -171.64 171.31 5.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' B' ' 184' ' ' GLU . 0.0 OUTLIER -116.19 139.92 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.441 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.601 ' HB3' HG13 ' B' ' 346' ' ' VAL . 2.1 tp -78.83 119.42 22.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.404 HG23 HG22 ' B' ' 324' ' ' ILE . 82.3 t -118.79 95.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.523 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.632 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -137.13 169.86 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 328' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 46.3 p30 -82.62 -26.37 32.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 19.2 tt0 -148.92 127.46 12.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.975 HD23 ' H ' ' B' ' 330' ' ' LEU . 1.5 pt? -80.72 131.93 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.517 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 331' ' ' SER . . . . . 0.525 ' O ' ' OG1' ' B' ' 334' ' ' THR . 47.7 t -138.39 140.35 39.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.69 92.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.487 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 40.5 p -54.55 -44.01 72.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.569 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 334' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' B' ' 331' ' ' SER . 33.2 p -64.96 -48.83 72.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.576 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' B' ' 337' ' ' GLU . 95.1 mt -58.57 -32.85 69.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -66.59 5.75 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' B' ' 335' ' ' LEU . 4.8 mm-40 -99.9 -39.66 8.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.516 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 5.4 mt -107.29 151.42 40.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -73.0 137.82 27.24 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.855 2.37 . . . . 0.0 112.127 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 340' ' ' GLN . . . . . 0.587 ' O ' ' CD ' ' B' ' 340' ' ' GLN . 25.3 tm0? -66.0 -2.1 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.54 -39.55 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.458 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.445 HH21 ' HD3' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -85.06 -17.86 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.46 101.09 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.515 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 27.9 m -118.3 17.33 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.598 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 168.81 153.08 8.09 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.601 HG13 ' HB3' ' B' ' 325' ' ' LEU . 6.7 t -139.24 150.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.578 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 347' ' ' VAL . . . . . 0.486 HG23 HG23 ' B' ' 369' ' ' VAL . 7.3 p -157.83 124.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.482 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 21.6 m -124.52 161.4 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 349' ' ' ARG . . . . . 0.496 ' HD2' HH21 ' B' ' 349' ' ' ARG . 8.4 ttm180 -83.66 -38.74 21.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.472 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.806 ' O ' ' O ' ' B' ' 351' ' ' GLY . 0.0 OUTLIER -133.32 -72.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.645 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.806 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 43.37 129.71 0.0 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 352' ' ' ALA . . . . . 0.589 ' HB3' ' HB3' ' B' ' 355' ' ' SER . . . -62.45 147.06 49.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.384 . . . . 0.0 110.447 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -91.88 -17.15 25.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -101.27 0.78 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 355' ' ' SER . . . . . 0.589 ' HB3' ' HB3' ' B' ' 352' ' ' ALA . 77.8 p -65.71 149.67 49.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 356' ' ' GLN . . . . . 0.478 ' OE1' HD13 ' B' ' 241' ' ' ILE . 19.4 pt20 -55.07 -38.26 67.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.63 90.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.37 82.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 3.4 mm -68.55 -31.88 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 360' ' ' MET . . . . . 0.562 ' SD ' HG22 ' B' ' 238' ' ' THR . 37.1 ttp -65.3 -41.4 94.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 1.5 t -63.48 -41.73 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -59.42 -39.93 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -78.21 -27.76 47.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.42 -34.42 78.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.51 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 91.77 20.44 37.04 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 366' ' ' ILE . . . . . 0.667 HG13 ' HD2' ' B' ' 367' ' ' PRO . 2.4 tp -107.56 138.66 20.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 110.633 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 367' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' B' ' 366' ' ' ILE . 54.8 Cg_endo -73.63 138.6 26.88 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.777 2.318 . . . . 0.0 112.158 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 368' ' ' THR . . . . . 0.408 HG23 ' HB ' ' B' ' 346' ' ' VAL . 85.4 m -146.32 144.7 29.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.527 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 369' ' ' VAL . . . . . 0.486 HG23 HG23 ' B' ' 347' ' ' VAL . 2.2 m -125.38 154.29 33.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 370' ' ' MET . . . . . 1.034 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 10.2 mtp -131.83 161.24 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.637 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 97.67 -5.33 62.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -51.46 111.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 48.9 p-10 -102.53 55.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.545 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 6.4 mt -130.09 135.6 60.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.557 ' N ' ' OE1' ' B' ' 375' ' ' GLN . 0.4 OUTLIER -73.65 118.08 66.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.605 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 376' ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' B' ' 379' ' ' LEU . 52.1 Cg_exo -48.1 -20.84 2.41 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.848 2.365 . . . . 0.0 112.162 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 46.5 t -57.13 -46.81 82.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 378' ' ' VAL . . . . . 0.43 HG12 ' O ' ' B' ' 375' ' ' GLN . 4.0 p -74.54 -34.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' B' ' 381' ' ' ARG . 3.1 mt -62.14 -29.81 70.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.522 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.6 ' C ' ' O ' ' B' ' 379' ' ' LEU . 2.5 m170 22.7 -86.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.516 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' B' ' 379' ' ' LEU . 64.0 mtm-85 -139.38 24.59 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 382' ' ' ARG . . . . . 0.456 ' NH2' ' OD2' ' B' ' 396' ' ' ASP . 13.2 mmt180 -65.08 164.55 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 6.2 m -80.58 126.04 30.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.626 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.746 HD13 ' N ' ' B' ' 385' ' ' ILE . 0.5 OUTLIER -131.71 116.16 16.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.574 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 385' ' ' ILE . . . . . 0.746 ' N ' HD13 ' B' ' 384' ' ' LEU . 9.6 pt -101.04 115.4 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.599 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 88.6 t -94.85 139.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' B' ' 391' ' ' GLY . 52.5 t0 -133.28 85.88 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.533 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.45 -44.32 28.45 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -52.45 -46.07 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.532 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -95.16 -6.11 42.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 46.27 59.93 4.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.98 171.29 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' B' ' 393' ' ' LEU . 0.3 OUTLIER -139.66 128.5 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.516 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.506 ' O ' HD22 ' B' ' 384' ' ' LEU . 1.3 mt -112.21 157.55 20.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.67 ' O ' ' C ' ' B' ' 396' ' ' ASP . 8.8 p -114.55 123.59 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.478 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.67 ' C ' ' O ' ' B' ' 395' ' ' VAL . 48.1 p-10 -3.76 74.3 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.662 ' N ' ' O ' ' B' ' 395' ' ' VAL . 39.6 Cg_endo -70.29 -167.29 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.847 2.365 . . . . 0.0 112.181 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.69 135.98 95.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.538 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.2 -35.76 20.62 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.74 2.294 . . . . 0.0 112.189 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 400' ' ' VAL . . . . . 0.567 HG13 ' N ' ' B' ' 401' ' ' LEU . 11.9 p -63.79 -44.09 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.584 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 401' ' ' LEU . . . . . 0.567 ' N ' HG13 ' B' ' 400' ' ' VAL . 74.5 mt -60.82 -41.9 96.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.67 -38.84 87.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -65.43 -58.83 4.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 404' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' B' ' 408' ' ' LEU . 4.2 tp10 -55.13 -42.16 72.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -47.06 -53.29 12.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.56 -36.27 83.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' B' ' 411' ' ' GLU . 12.3 ttp85 -75.07 -30.12 60.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.539 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 404' ' ' GLU . 7.4 tp -64.35 -48.15 76.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.67 -41.18 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.664 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 93.0 p -81.9 -13.88 56.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 411' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 407' ' ' ARG . 80.1 tt0 -46.64 -69.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' B' ' 414' ' ' GLU . 0.4 OUTLIER -167.2 -39.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.618 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 0.971 HD12 ' H ' ' B' ' 413' ' ' ILE . 2.8 mp -65.95 55.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.551 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' B' ' 412' ' ' GLU . 43.3 tt0 -89.41 112.3 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.561 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 415' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' B' ' 415' ' ' LEU . 0.1 OUTLIER -43.6 -33.6 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.497 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 43.0 m -75.47 17.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.657 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 417' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' B' ' 414' ' ' GLU . 3.0 ttp180 -143.88 -55.61 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.513 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 6.3 tp -116.24 112.72 22.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.93 89.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -89.35 125.34 35.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -127.84 169.33 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.564 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' B' ' 424' ' ' ASN . 1.3 t70 -73.53 81.21 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.548 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 46.8 t 60.31 -77.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.692 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 424' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' B' ' 422' ' ' ASP . 5.5 t-20 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptt? . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.451 HG22 ' HB ' ' A' ' 68' ' ' THR . 67.6 p -83.67 158.97 21.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.7 t -132.9 117.66 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.645 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -122.8 174.85 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 1.125 ' NE2' HD21 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -163.12 134.17 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.53 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -82.23 125.54 31.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.707 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -127.2 125.65 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.56 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -82.03 127.36 33.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 13' ' ' LEU . 48.8 mm -89.7 105.13 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 p -82.8 56.47 3.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 62.79 26.19 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.481 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 1.1 ttmp? -167.58 98.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HA ' HD12 ' A' ' 9' ' ' ILE . 2.7 mp -62.56 -3.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.535 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 112.03 25.66 4.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . 1.093 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.6 mtm 83.95 33.22 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.608 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.731 ' O ' ' SD ' ' A' ' 21' ' ' MET . 0.4 OUTLIER -13.42 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.455 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 1.093 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -51.29 -10.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.493 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.839 ' H ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -136.67 -51.98 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.498 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.839 ' HD2' ' H ' ' A' ' 18' ' ' ARG . 51.4 Cg_exo -49.54 -60.34 0.89 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.921 2.414 . . . . 0.0 112.123 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB3' ' HE1' ' A' ' 21' ' ' MET . . . -55.87 -45.38 78.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.731 ' SD ' ' O ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -66.75 -43.86 82.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -60.99 -37.32 82.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 23' ' ' LEU . 17.6 tp -49.39 -47.73 47.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.617 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 16.5 m-85 -55.45 -39.48 70.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.467 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -73.48 -34.38 65.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.52 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.642 HD22 ' CE1' ' A' ' 30' ' ' PHE . 85.3 mt -67.26 -44.04 80.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.628 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.609 ' CE ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -54.86 -34.05 62.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -79.19 -32.76 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.574 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.91 -33.99 31.9 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.642 ' CE1' HD22 ' A' ' 26' ' ' LEU . 16.3 m-85 -103.54 158.88 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.595 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 41.0 t0 -101.44 93.62 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.683 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.609 ' O ' ' CE ' ' A' ' 27' ' ' MET . . . 168.17 156.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.463 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -100.93 129.49 46.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.583 HG23 ' CE ' ' A' ' 27' ' ' MET . 90.6 t -106.62 133.72 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.1 mt -134.19 138.08 44.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.631 HD22 HG22 ' A' ' 65' ' ' VAL . 20.4 mt -107.51 149.92 27.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.484 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.475 HH21 ' HD2' ' A' ' 37' ' ' ARG . 37.6 mtm180 -146.39 135.38 22.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.9 154.84 17.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -27.88 16.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.553 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -68.27 -11.03 58.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.75 11.32 59.27 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.24 117.22 23.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.332 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.25 102.78 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.558 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.639 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -88.66 65.6 7.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -40.98 121.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.617 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.58 -9.07 11.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -100.23 27.24 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -145.94 124.5 12.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.676 ' O ' HD13 ' A' ' 53' ' ' LEU . 7.3 p -63.89 -35.91 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.413 ' N ' HG13 ' A' ' 49' ' ' VAL . 90.2 mt -60.75 -37.52 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.593 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.14 -43.14 92.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD21 ' HE1' ' A' ' 21' ' ' MET . 41.5 tp -57.88 -38.47 75.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.708 ' CD1' ' N ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.3 -36.07 82.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.7 mtt -67.41 -40.3 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 4.1 mt -60.15 -35.74 75.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -52.44 -34.27 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.4 t -77.87 -6.4 54.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.04 29.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 96.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.18 4.66 38.23 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HD3' HH21 ' A' ' 61' ' ' ARG . 7.9 mtm180 -105.35 164.63 11.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 0.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -98.08 143.68 28.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 pt -131.23 162.07 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.595 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.448 ' OE2' ' HB2' ' A' ' 4' ' ' LYS . 19.6 tp10 -124.0 101.36 7.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.631 HG22 HD22 ' A' ' 36' ' ' LEU . 89.0 t -81.05 128.15 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -120.33 138.41 53.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.28 130.85 31.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.525 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.6 t -123.98 128.73 49.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.468 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 32' ' ' ALA . . . 142.64 161.29 8.72 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.67 ' O ' ' OE2' ' A' ' 73' ' ' GLU . 54.7 Cg_exo -46.91 -44.56 22.41 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.839 2.359 . . . . 0.0 112.127 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 74' ' ' GLU . 14.5 mm100 -93.94 5.87 50.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 16.7 pt-20 -37.13 -36.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.671 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.67 ' OE2' ' O ' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -64.6 -49.75 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' GLN . 36.2 tp10 -56.91 -52.12 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.17 -49.45 71.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.125 HD21 ' NE2' ' A' ' 5' ' ' GLN . 6.3 tt -64.7 -44.53 89.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 80' ' ' ILE . . . -62.43 -42.27 99.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.98 99.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.88 -42.74 89.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.548 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.909 HD12 ' NE2' ' A' ' 5' ' ' GLN . 0.8 OUTLIER -64.43 -41.08 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.519 ' N ' ' CG2' ' A' ' 80' ' ' ILE . . . -64.18 -35.59 81.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -73.61 -39.23 64.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.472 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.714 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.02 -24.05 61.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.512 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -89.03 -3.18 58.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.559 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 170' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' B' ' 393' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.48 129.48 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.659 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -84.13 103.18 13.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -101.23 159.62 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.4 119.64 77.52 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.51 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.51 107.13 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.912 2.408 . . . . 0.0 112.195 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 176' ' ' ALA . . . . . 0.459 ' HB1' ' NH2' ' B' ' 362' ' ' ARG . . . -89.44 -34.03 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.608 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.524 ' HB3' ' H ' ' B' ' 368' ' ' THR . . . -138.75 102.37 7.77 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.14 135.45 18.88 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.82 2.346 . . . . 0.0 112.143 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 179' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 143.46 171.24 13.63 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 180' ' ' VAL . . . . . 0.526 HG22 ' N ' ' B' ' 181' ' ' ALA . 8.7 p -125.42 159.35 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.301 . . . . 0.0 110.619 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 181' ' ' ALA . . . . . 0.526 ' N ' HG22 ' B' ' 180' ' ' VAL . . . -163.72 147.26 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 182' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 1.4 pp -129.49 128.73 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.617 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 177.78 177.32 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.511 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 184' ' ' GLU . . . . . 0.623 ' H ' ' CD ' ' B' ' 184' ' ' GLU . 2.2 pm0 -81.03 165.99 21.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -99.45 134.05 11.53 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 186' ' ' TRP . . . . . 0.454 ' HB3' ' O ' ' B' ' 324' ' ' ILE . 80.9 t90 -110.57 102.86 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.731 0.301 . . . . 0.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.38 138.01 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.5 ' OD1' ' OG1' ' B' ' 190' ' ' THR . 40.6 t0 -76.45 99.92 5.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.643 ' O ' ' CD1' ' B' ' 191' ' ' LEU . . . -72.06 -9.32 58.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 190' ' ' THR . . . . . 0.5 ' OG1' ' OD1' ' B' ' 188' ' ' ASP . 80.8 p -64.79 109.46 2.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 191' ' ' LEU . . . . . 0.678 ' O ' ' N ' ' B' ' 193' ' ' LEU . 0.7 OUTLIER -116.52 153.48 48.95 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.54 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.729 ' C ' ' H ' ' B' ' 194' ' ' MET . 52.8 Cg_exo -47.78 71.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.858 2.372 . . . . 0.0 112.116 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.678 ' N ' ' O ' ' B' ' 191' ' ' LEU . 1.0 OUTLIER -46.77 -0.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.624 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 194' ' ' MET . . . . . 0.729 ' H ' ' C ' ' B' ' 192' ' ' PRO . 2.1 mmt -75.05 -50.95 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.529 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -80.86 -12.65 59.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -97.39 31.48 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.519 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 197' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -95.25 160.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.556 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -173.05 88.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.17 153.51 51.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.611 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -67.61 -167.92 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 41.3 t -120.93 83.87 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 70.6 m -129.99 119.67 23.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 0.809 ' N ' HD23 ' B' ' 203' ' ' LEU . 0.1 OUTLIER -82.93 136.04 34.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.712 ' OD1' ' OE2' ' B' ' 208' ' ' GLU . 1.2 p30 -153.49 77.01 6.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.615 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.22 -24.75 3.92 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.789 2.326 . . . . 0.0 112.11 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -78.37 -48.75 14.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.489 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 207' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' B' ' 211' ' ' ARG . 74.9 mt -80.41 -42.98 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.712 ' OE2' ' OD1' ' B' ' 204' ' ' ASP . 0.6 OUTLIER -59.16 -59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.489 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -55.78 -45.33 78.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -68.38 -40.66 81.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' B' ' 207' ' ' LEU . 34.9 mtp180 -55.84 -44.09 77.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.469 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.529 ' CD1' HD13 ' B' ' 258' ' ' LEU . 3.4 mm? -67.83 -50.38 56.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 27.8 m -53.59 -47.99 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.75 -35.7 92.36 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 215' ' ' ALA . . . . . 0.712 ' HB2' HD12 ' B' ' 309' ' ' LEU . . . -68.99 -45.37 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.506 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.74 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.6 OUTLIER -58.46 -42.53 87.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.54 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.626 ' HG2' ' ND2' ' B' ' 221' ' ' ASN . 0.0 OUTLIER -58.83 -27.09 64.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.515 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -92.58 -33.48 14.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.445 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 219' ' ' ALA . . . . . 0.694 ' O ' ' HG3' ' B' ' 222' ' ' GLU . . . -91.17 -36.38 13.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -72.85 -51.76 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.518 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.626 ' ND2' ' HG2' ' B' ' 217' ' ' GLU . 88.8 m-20 -59.32 -44.69 92.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.694 ' HG3' ' O ' ' B' ' 219' ' ' ALA . 0.0 OUTLIER -62.03 -39.13 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.413 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 223' ' ' PHE . . . . . 0.503 ' N ' ' OE2' ' B' ' 222' ' ' GLU . 0.2 OUTLIER -64.04 -52.22 60.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 28.6 ttm105 -66.26 -38.77 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.512 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -66.68 -34.25 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.65 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 10.5 m-30 -59.69 -47.97 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.523 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.72 -48.72 40.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -59.2 -36.89 76.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 229' ' ' ARG . . . . . 0.407 ' NH1' ' CD1' ' B' ' 226' ' ' TYR . 3.6 ttm-85 -66.78 -43.28 84.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -71.07 -40.22 71.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.07 -31.93 61.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -53.76 -18.82 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 233' ' ' GLY . . . . . 0.917 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -157.09 -97.67 0.13 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.917 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . 7.5 -140.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.568 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.484 ' O ' ' OG1' ' B' ' 238' ' ' THR . 2.9 pt20 -128.13 179.21 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -73.23 -30.86 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.04 -35.61 69.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.608 ' O ' HG12 ' B' ' 241' ' ' ILE . 39.9 p -63.26 -56.87 12.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -68.88 -26.97 65.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.43 99.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.692 HG13 ' H ' ' B' ' 242' ' ' PHE . 21.9 pt -73.38 -54.6 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.692 ' H ' HG13 ' B' ' 241' ' ' ILE . 22.8 m-85 -52.97 -65.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 242' ' ' PHE . 19.9 t70 -38.23 -37.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 1.021 ' O ' HD23 ' B' ' 244' ' ' LEU . 4.8 tt -71.51 -42.24 68.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' B' ' 242' ' ' PHE . 2.0 m-85 -68.74 -37.13 79.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 246' ' ' SER . . . . . 0.647 ' O ' HD23 ' B' ' 249' ' ' LEU . 74.0 m -47.42 -47.56 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.601 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.517 ' HA ' ' OG ' ' B' ' 250' ' ' SER . 0.0 OUTLIER -81.46 -20.35 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.626 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 5.2 tt -66.1 -50.4 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.657 HD23 ' H ' ' B' ' 250' ' ' SER . 0.3 OUTLIER -79.65 -36.99 36.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.653 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 250' ' ' SER . . . . . 0.657 ' H ' HD23 ' B' ' 249' ' ' LEU . 27.7 p -67.24 -20.17 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.752 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 53.3 p30 -49.7 133.11 21.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 252' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' B' ' 256' ' ' ARG . 0.2 OUTLIER -58.81 4.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.609 ' H ' ' C ' ' B' ' 251' ' ' ASP . 5.7 mtm-85 -87.54 -43.57 11.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 254' ' ' LEU . . . . . 0.488 HD22 ' HA ' ' B' ' 249' ' ' LEU . 17.8 tp -59.72 -51.93 67.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.619 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' B' ' 250' ' ' SER . 0.0 OUTLIER -66.41 -42.62 87.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 256' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' B' ' 252' ' ' THR . 9.3 tmm_? -55.07 -49.77 70.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.613 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -58.8 -45.27 90.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.582 ' CD2' HG21 ' B' ' 275' ' ' VAL . 29.2 mt -59.92 -54.96 40.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.591 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -57.88 -35.96 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.7 86.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 261' ' ' GLU . . . . . 0.413 ' C ' ' OG ' ' B' ' 266' ' ' SER . 76.9 mm-40 -65.4 -37.59 87.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.517 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 98.1 t -64.33 -38.41 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.598 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -57.67 -18.23 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.524 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -93.52 -24.88 17.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.557 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.47 24.93 1.69 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 266' ' ' SER . . . . . 0.413 ' OG ' ' C ' ' B' ' 261' ' ' GLU . 53.1 p -95.19 158.46 15.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.604 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 28.2 t -104.06 148.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.525 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -49.53 -40.47 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.439 ' CD ' HH12 ' B' ' 211' ' ' ARG . 2.3 mp0 -52.85 -48.63 66.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -82.45 -34.17 28.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.506 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -55.2 -50.89 68.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.741 ' O ' HG23 ' B' ' 276' ' ' ILE . 32.9 m -63.42 -33.8 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.499 ' O ' HG12 ' B' ' 276' ' ' ILE . 30.6 ttpt -73.56 -48.68 31.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 33.9 p -61.08 -53.98 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.582 HG21 ' CD2' ' B' ' 258' ' ' LEU . 53.6 t -49.55 -61.58 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.469 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.741 HG23 ' O ' ' B' ' 272' ' ' VAL . 36.2 pt -53.89 -38.88 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.465 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.65 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 4.3 mm-40 -66.12 -44.08 85.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.01 -37.89 84.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -73.48 -30.35 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.86 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.65 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 5.5 mp0 -69.12 -47.66 64.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 282' ' ' GLN . . . . . 0.426 ' O ' HD12 ' B' ' 286' ' ' LEU . 1.4 mt-30 -64.1 -32.7 74.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.57 ' O ' HD11 ' B' ' 291' ' ' LEU . 0.8 OUTLIER -63.63 -52.52 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 284' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -64.2 -45.49 88.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.565 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 285' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -36.21 -39.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.63 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.718 HD13 HD13 ' B' ' 291' ' ' LEU . 1.0 OUTLIER -67.04 161.69 23.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.575 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 10.6 m -106.88 -24.75 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.46 ' OD2' ' HB3' ' B' ' 286' ' ' LEU . 0.0 OUTLIER -43.88 125.86 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.619 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -65.17 -50.7 64.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.466 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 290' ' ' TYR . . . . . 0.404 ' CE2' ' NE2' ' A' ' 16' ' ' HIS . 5.8 t80 -49.39 -23.19 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.546 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.718 HD13 HD13 ' B' ' 286' ' ' LEU . 0.0 OUTLIER -84.9 -62.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.476 ' H ' HD23 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -38.38 -39.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.482 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -71.97 -47.42 52.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.365 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 291' ' ' LEU . 60.0 mtp180 -59.72 -27.94 66.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.408 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -50.18 -46.2 54.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -47.31 -43.73 19.84 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.491 ' HB3' ' CE1' ' B' ' 245' ' ' TYR . 4.6 m-20 -64.63 -38.96 92.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 110.349 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 298' ' ' LEU . . . . . 0.519 HD12 ' CE1' ' B' ' 283' ' ' PHE . 1.1 tt -54.52 -54.02 46.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.454 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 299' ' ' ARG . . . . . 0.411 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 5.5 tmm_? -52.02 -39.61 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.317 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' B' ' 303' ' ' GLN . . . -65.62 -38.29 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.289 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.494 ' O ' HD13 ' B' ' 301' ' ' LEU . 0.2 OUTLIER -54.26 -46.22 72.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.417 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.96 -41.45 98.65 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 303' ' ' GLN . . . . . 0.542 ' HG2' ' N ' ' B' ' 304' ' ' ARG . 1.2 pt20 -67.62 -39.39 84.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.286 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.542 ' N ' ' HG2' ' B' ' 303' ' ' GLN . 6.5 mmm-85 -66.31 -42.68 87.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.364 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 3.2 tt -69.44 -35.08 75.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.385 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -42.28 97.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.433 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 307' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' B' ' 310' ' ' ASP . 1.4 m-85 -62.95 -43.31 99.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.462 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.51 ' ND1' ' OD1' ' B' ' 313' ' ' ASN . 73.6 m-70 -69.19 -23.12 63.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.464 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.712 HD12 ' HB2' ' B' ' 215' ' ' ALA . 5.7 tp -62.23 -14.57 39.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.476 ' C ' ' N ' ' B' ' 312' ' ' ALA . 0.4 OUTLIER -113.45 118.45 34.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.538 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' B' ' 313' ' ' ASN . 6.0 t70 -48.09 -12.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.581 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' B' ' 313' ' ' ASN . . . -75.0 20.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.527 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.51 ' OD1' ' ND1' ' B' ' 308' ' ' HIS . 3.9 t30 -31.62 111.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.507 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.12 -77.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 48.41 -108.54 0.39 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -73.09 -33.51 7.37 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.833 2.356 . . . . 0.0 112.131 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 52.0 t30 49.78 -110.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -175.57 117.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 1.078 ' HB3' ' HD2' ' B' ' 320' ' ' PRO . 88.2 m95 -79.66 -173.0 0.37 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 1.078 ' HD2' ' HB3' ' B' ' 319' ' ' TRP . 51.1 Cg_exo -48.97 159.51 0.93 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.797 2.332 . . . . 0.0 112.11 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.93 16.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.617 ' H ' ' C ' ' B' ' 320' ' ' PRO . 19.5 mtp85 -130.63 108.54 9.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.551 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 172.58 148.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.69 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.563 HG12 ' HA2' ' B' ' 185' ' ' GLY . 1.9 pt -113.14 158.38 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.575 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 59.8 mt -89.93 130.7 36.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.654 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 4.1 t -134.4 96.09 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.18 149.03 48.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -63.5 -30.09 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.554 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.16 131.08 38.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.537 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.611 ' O ' HD12 ' B' ' 330' ' ' LEU . 0.3 OUTLIER -84.19 140.46 31.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.54 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 45.8 t -142.74 124.26 14.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.81 -41.36 70.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.414 HG21 ' CB ' ' B' ' 300' ' ' ALA . 90.5 m -59.85 -46.05 90.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 86.4 m -58.19 -53.52 57.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.487 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.667 HD21 HD22 ' B' ' 343' ' ' LEU . 0.4 OUTLIER -54.62 -31.81 57.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.512 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -72.67 16.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' B' ' 335' ' ' LEU . 96.1 mt-10 -109.01 -32.63 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.585 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.438 ' H ' HD12 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -107.87 125.1 32.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.35 148.63 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.867 2.378 . . . . 0.0 112.083 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.17 -10.03 55.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -70.67 -42.0 71.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.564 ' O ' HG23 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -78.8 -26.54 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.556 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.667 HD22 HD21 ' B' ' 335' ' ' LEU . 18.0 tp -66.97 104.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.564 HG23 ' O ' ' B' ' 342' ' ' ARG . 10.7 t -122.33 3.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.522 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 179.79 161.41 26.99 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 96.7 t -141.32 141.0 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 59.4 t -146.32 121.21 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.464 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 69.0 t -119.54 152.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.565 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 349' ' ' ARG . . . . . 0.547 ' HE ' ' C ' ' B' ' 373' ' ' ASP . 1.6 tpt180 -84.66 -40.69 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.61 ' O ' ' C ' ' B' ' 351' ' ' GLY . 5.1 t70 -135.54 -84.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 20.42 62.33 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 352' ' ' ALA . . . . . 0.79 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -83.69 175.54 9.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 110.531 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 93.75 -170.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.599 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 354' ' ' ASN . . . . . 0.844 ' O ' ' HB3' ' B' ' 358' ' ' ALA . 7.3 p-10 -73.31 -38.93 65.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 355' ' ' SER . . . . . 0.778 ' O ' ' O ' ' B' ' 354' ' ' ASN . 0.1 OUTLIER 36.11 114.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 356' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' B' ' 355' ' ' SER . 5.6 mp0 -38.22 -39.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.3 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 358' ' ' ALA . . . . . 0.844 ' HB3' ' O ' ' B' ' 354' ' ' ASN . . . -58.32 -46.92 85.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 13.9 tt -72.02 -26.21 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -67.01 -49.48 65.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.554 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.407 HG23 ' N ' ' B' ' 362' ' ' ARG . 16.7 m -63.19 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.581 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.507 ' NH1' ' HB1' ' B' ' 358' ' ' ALA . 12.2 mtm-85 -59.05 -52.01 67.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.56 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.48 -27.07 68.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.457 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -30.7 68.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 88.11 29.7 19.34 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 96.5 mt -108.55 126.35 29.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.658 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.53 120.56 4.64 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.818 2.345 . . . . 0.0 112.121 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 368' ' ' THR . . . . . 0.524 ' H ' ' HB3' ' B' ' 177' ' ' ALA . 91.8 m -142.62 145.43 33.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.551 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 19.2 m -141.07 154.33 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.642 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.439 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 6.1 ptp -135.73 171.0 15.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.497 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 84.98 3.76 87.55 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 372' ' ' ALA . . . . . 0.514 ' O ' ' NE ' ' B' ' 349' ' ' ARG . . . -53.6 115.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.752 0.31 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 373' ' ' ASP . . . . . 0.547 ' C ' ' HE ' ' B' ' 349' ' ' ARG . 74.6 m-20 -79.96 28.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.546 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.542 ' N ' ' HE ' ' B' ' 349' ' ' ARG . 6.7 tp -126.08 128.28 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.576 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.596 ' H ' ' CD ' ' B' ' 375' ' ' GLN . 1.3 mp0 -77.49 151.76 80.66 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -72.71 -16.11 26.74 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.892 2.394 . . . . 0.0 112.083 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 28.9 t -64.98 -37.07 86.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.448 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 378' ' ' VAL . . . . . 0.663 HG12 ' O ' ' B' ' 378' ' ' VAL . 24.9 t -92.03 23.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.71 ' O ' ' N ' ' B' ' 381' ' ' ARG . 61.9 mt -125.95 -21.71 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' B' ' 185' ' ' GLY . 2.3 t-160 23.29 -82.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' B' ' 379' ' ' LEU . 9.3 ptp180 -144.28 25.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -65.86 173.48 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.547 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 70.9 p -82.79 127.18 33.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.564 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 4.4 tt -124.68 148.37 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.75 103.26 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 9.3 p -92.21 147.06 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.551 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.649 ' O ' ' N ' ' B' ' 391' ' ' GLY . 66.7 t0 -135.04 76.69 1.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 388' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -48.06 -42.56 23.67 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -49.58 -47.21 49.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.481 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 390' ' ' ARG . . . . . 0.458 HH11 ' CG2' ' B' ' 413' ' ' ILE . 9.8 tpp180 -105.37 -0.19 26.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.649 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 51.98 44.02 55.89 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -112.01 150.12 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.454 ' C ' HD12 ' B' ' 394' ' ' LEU . 3.0 tt -126.49 118.99 26.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.473 HD23 ' HG3' ' B' ' 397' ' ' PRO . 11.1 mp -106.51 150.88 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.586 ' O ' ' C ' ' B' ' 396' ' ' ASP . 58.9 t -122.31 101.99 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.586 ' C ' ' O ' ' B' ' 395' ' ' VAL . 39.0 t70 24.44 59.82 0.39 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.564 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.473 ' HG3' HD23 ' B' ' 394' ' ' LEU . 46.8 Cg_endo -72.19 178.93 5.44 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.879 2.386 . . . . 0.0 112.077 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 398' ' ' GLU . . . . . 0.435 ' OE1' ' HD2' ' B' ' 399' ' ' PRO . 20.2 mm-40 -48.53 125.95 12.67 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 399' ' ' PRO . . . . . 0.435 ' HD2' ' OE1' ' B' ' 398' ' ' GLU . 53.1 Cg_exo -47.48 -35.55 22.1 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.873 2.382 . . . . 0.0 112.178 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 78.3 t -70.15 -48.7 60.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 5.8 mp -54.96 -51.57 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 402' ' ' LEU . . . . . 0.542 HD23 ' C ' ' B' ' 402' ' ' LEU . 4.7 tt -62.45 -32.45 73.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.613 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -61.19 -57.22 13.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.527 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -67.79 -46.99 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -45.44 -50.74 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.569 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -62.2 -37.02 83.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -75.06 -35.59 61.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.89 -54.5 13.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.13 -34.47 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 87.2 p -78.95 -19.48 51.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.587 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.72 44.35 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 0.583 ' O ' ' O ' ' B' ' 418' ' ' LEU . 44.8 tp10 -170.53 -114.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 0.684 ' O ' ' C ' ' B' ' 414' ' ' GLU . 81.4 mt -31.74 -38.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.597 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 0.737 ' O ' ' N ' ' B' ' 418' ' ' LEU . 0.2 OUTLIER -7.76 109.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.522 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.52 -13.31 61.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.588 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 65.5 p -82.83 -10.77 58.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 417' ' ' ARG . . . . . 0.498 HH21 ' HD2' ' B' ' 417' ' ' ARG . 33.8 mtm105 -147.51 -24.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.666 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 418' ' ' LEU . . . . . 0.737 ' N ' ' O ' ' B' ' 414' ' ' GLU . 3.4 tp 79.92 -154.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -78.62 138.52 38.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.617 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 420' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' B' ' 420' ' ' GLU . 58.1 mp0 -116.06 -43.07 3.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.21 -170.12 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.542 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.8 -165.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.502 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 423' ' ' VAL . . . . . 0.588 HG12 ' CG ' ' B' ' 424' ' ' ASN . 53.7 t -77.13 132.1 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 424' ' ' ASN . . . . . 0.588 ' CG ' HG12 ' B' ' 423' ' ' VAL . 2.0 m120 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.539 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.6 p -83.05 159.04 22.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 3' ' ' VAL . 2.6 p -132.98 119.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.463 ' HD2' HH12 ' A' ' 37' ' ' ARG . 4.9 pttp -127.41 172.4 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.492 ' O ' HG22 ' A' ' 65' ' ' VAL . 59.7 tt0 -161.46 134.04 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.481 ' OG1' ' NE2' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -79.21 128.91 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -129.64 124.03 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.29 127.35 32.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.541 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mm -90.6 105.79 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.667 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.7 p -83.14 57.16 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.473 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 11' ' ' ASN . 38.4 t30 61.18 26.84 16.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.503 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 8.5 ttpt -167.33 98.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.976 ' N ' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.36 -5.26 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.684 ' O ' ' SD ' ' A' ' 15' ' ' MET . . . 153.8 -67.53 0.31 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.684 ' SD ' ' O ' ' A' ' 14' ' ' GLY . 0.5 OUTLIER -152.75 -163.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.704 0.288 . . . . 0.0 110.501 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.705 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 31.1 m80 -43.61 -38.51 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.483 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.878 ' HB3' HH11 ' A' ' 18' ' ' ARG . . . 159.97 5.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.909 ' N ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -53.98 -47.19 97.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.654 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.6 Cg_exo -47.36 -55.75 3.66 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.793 2.328 . . . . 0.0 112.07 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.22 -47.74 82.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.496 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.525 ' SD ' ' O ' ' B' ' 240' ' ' ALA . 41.7 mtm -65.84 -41.64 91.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' NZ ' ' HB3' ' A' ' 18' ' ' ARG . 48.6 mttp -62.51 -37.63 86.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -50.04 -45.64 52.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.605 ' CE2' ' NE2' ' B' ' 247' ' ' HIS . 2.6 m-85 -55.9 -40.82 73.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -72.0 -35.92 69.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.471 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 22' ' ' LYS . 9.5 mp -66.94 -42.72 84.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 ttp -55.85 -31.42 62.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -83.56 -29.74 27.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.69 -31.75 29.06 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -106.91 153.73 22.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.669 0.271 . . . . 0.0 110.638 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.594 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 59.0 t0 -96.12 95.17 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 167.95 156.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.58 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -101.83 128.25 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.5 t -105.7 134.64 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mp -136.08 137.74 41.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.0 tt -106.84 151.6 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.689 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.463 HH12 ' HD2' ' A' ' 4' ' ' LYS . 54.5 mtm180 -147.92 134.08 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -91.8 155.58 18.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.456 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -52.49 -28.28 19.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.62 -11.46 58.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.76 11.53 59.01 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -84.25 117.48 23.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.352 . . . . 0.0 110.492 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.08 103.19 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.617 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.637 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.18 64.79 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -40.34 121.33 1.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -9.61 12.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 85.1 m-20 -99.77 27.41 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.58 124.18 12.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.27 -35.46 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.9 tt -61.81 -36.5 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.637 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.21 -41.79 89.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.547 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.29 -38.39 80.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.326 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -65.72 -34.0 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.537 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . 1.227 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -70.71 -35.03 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' A' ' 36' ' ' LEU . 51.2 tp -64.51 -34.98 79.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' OD2' ' OD2' ' B' ' 288' ' ' ASP . 5.4 m-20 -53.45 -35.0 60.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -75.99 -7.07 53.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.633 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.06 29.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -69.31 97.3 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.11 6.93 38.92 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.03 164.51 12.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.606 ' NE2' ' O ' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -97.53 142.37 29.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -130.39 161.06 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.639 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.611 ' N ' HG12 ' A' ' 63' ' ' ILE . 17.2 mp0 -123.32 101.44 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.555 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 5' ' ' GLN . 7.9 m -81.37 128.16 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -120.67 138.58 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 3' ' ' VAL . . . -137.52 131.04 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.46 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 9.3 t -123.95 129.43 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.472 ' O ' ' HG2' ' A' ' 72' ' ' GLU . . . 142.19 162.32 9.16 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.83 -45.11 25.3 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.857 2.372 . . . . 0.0 112.059 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 72' ' ' GLU . 21.3 mt-30 -94.3 7.2 46.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.507 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 19.5 pt-20 -38.44 -36.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 14.5 pt-20 -64.3 -49.2 72.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 33.9 tp10 -57.24 -51.95 67.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.655 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.032 ' O ' HG13 ' A' ' 79' ' ' VAL . . . -55.2 -49.26 72.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.957 ' O ' HG22 ' A' ' 79' ' ' VAL . 0.8 OUTLIER -64.83 -44.03 91.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.501 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.83 99.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.97 97.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.45 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.032 HG13 ' O ' ' A' ' 75' ' ' ALA . 2.5 m -66.38 -42.67 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.434 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -64.53 -41.85 93.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.525 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.72 -35.64 81.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.466 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.7 mt -73.85 -38.12 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 13' ' ' LEU . 12.7 m-30 -69.47 -31.6 69.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.564 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.437 ' O ' ' CB ' ' A' ' 85' ' ' SER . 89.6 m-20 -82.37 -4.83 58.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.1 t . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 170' ' ' ARG . . . . . 0.466 HH21 ' HB3' ' B' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 171' ' ' ILE . . . . . 0.687 HD12 HD11 ' B' ' 393' ' ' LEU . 59.6 mt -131.59 130.02 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.79 ' HE ' ' N ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -80.72 113.51 18.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.844 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -116.84 159.07 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 370' ' ' MET . 58.3 mt -74.53 118.55 70.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.496 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 175' ' ' PRO . . . . . 0.404 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 52.7 Cg_endo -73.25 106.12 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.746 2.297 . . . . 0.0 112.131 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 176' ' ' ALA . . . . . 1.091 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -83.86 -36.68 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.536 ' HB3' ' H ' ' B' ' 368' ' ' THR . . . -135.84 133.31 19.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.416 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.04 143.27 40.09 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.787 2.325 . . . . 0.0 112.067 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 134.98 161.93 9.59 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.8 p -129.93 148.21 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 0.0 110.523 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -156.64 155.04 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.518 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 182' ' ' ILE . . . . . 0.462 ' O ' ' NH2' ' B' ' 322' ' ' ARG . 4.3 tt -124.89 128.29 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -173.49 175.18 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 184' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' B' ' 382' ' ' ARG . 93.3 mt-10 -85.3 163.74 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -104.78 126.59 8.76 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 186' ' ' TRP . . . . . 0.605 ' C ' ' CD1' ' B' ' 186' ' ' TRP . 0.0 OUTLIER -110.1 159.5 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.719 0.295 . . . . 0.0 110.587 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -115.39 139.0 50.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.572 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.617 ' OD1' ' OG1' ' B' ' 190' ' ' THR . 33.8 t0 -76.28 82.34 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -48.94 -10.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 190' ' ' THR . . . . . 0.617 ' OG1' ' OD1' ' B' ' 188' ' ' ASP . 11.6 m -46.24 103.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.521 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 191' ' ' LEU . . . . . 0.658 ' O ' ' N ' ' B' ' 193' ' ' LEU . 6.1 mt -101.44 144.75 29.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.559 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.58 ' O ' ' N ' ' B' ' 194' ' ' MET . 52.0 Cg_exo -47.93 72.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.825 2.35 . . . . 0.0 112.008 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.658 ' N ' ' O ' ' B' ' 191' ' ' LEU . 90.3 mt -43.08 -14.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.681 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 194' ' ' MET . . . . . 0.58 ' N ' ' O ' ' B' ' 192' ' ' PRO . 19.9 mtt -69.01 -44.05 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -78.29 -8.45 58.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -82.05 -7.65 59.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.504 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.512 HG13 ' O ' ' B' ' 194' ' ' MET . 35.2 m -56.67 154.53 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.566 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -119.24 137.19 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -62.74 135.47 57.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -170.58 125.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.625 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 22.8 p -104.54 86.88 2.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 53.3 p -146.33 105.3 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 0.454 ' HG ' ' H ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -71.81 141.29 49.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.436 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 3.4 m-20 -159.31 60.68 1.63 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.617 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.564 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 52.7 Cg_exo -47.6 -30.67 12.71 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.865 2.377 . . . . 0.0 112.122 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -78.49 -52.28 8.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.456 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 207' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 1.9 tp -74.77 -29.76 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.546 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.455 ' HA ' ' OE1' ' B' ' 208' ' ' GLU . 52.9 mm-40 -78.54 -55.97 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 209' ' ' ARG . . . . . 0.564 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 0.2 OUTLIER -50.94 -53.23 34.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.503 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 210' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' B' ' 211' ' ' ARG . 14.8 pt-20 -64.55 -39.15 93.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.501 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.605 ' NH2' ' OE2' ' B' ' 269' ' ' GLU . 14.6 ttt-85 -56.87 -43.23 81.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.471 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.421 HD11 HD12 ' B' ' 258' ' ' LEU . 30.6 mt -66.96 -57.3 7.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 213' ' ' THR . . . . . 0.549 ' O ' ' OE2' ' B' ' 217' ' ' GLU . 77.6 p -49.76 -51.14 41.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -59.02 -36.67 89.45 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.68 -45.34 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.424 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.666 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.6 OUTLIER -56.46 -52.59 64.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.437 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.549 ' OE2' ' O ' ' B' ' 213' ' ' THR . 1.0 OUTLIER -53.6 -30.91 44.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.457 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -75.76 -36.37 59.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.445 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -93.14 -48.93 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -54.94 -49.03 72.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.512 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.601 ' C ' ' HE ' ' B' ' 225' ' ' ARG . 89.9 m-20 -63.78 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.46 ' O ' ' CD1' ' B' ' 226' ' ' TYR . 34.3 tt0 -62.78 -46.62 87.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.499 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -68.35 -43.34 77.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 224' ' ' ARG . . . . . 0.433 HH21 ' HD3' ' B' ' 224' ' ' ARG . 12.2 ttp180 -63.97 -49.14 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.453 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 225' ' ' ARG . . . . . 0.601 ' HE ' ' C ' ' B' ' 221' ' ' ASN . 90.1 mtm180 -66.23 -30.02 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 1.3 m-85 -59.62 -44.24 93.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.562 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 69.4 m -48.96 -40.49 30.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -61.56 -23.95 66.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -76.29 -46.68 26.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.842 ' CE2' ' HB2' ' B' ' 239' ' ' ALA . 0.0 OUTLIER -51.23 -39.45 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -40.34 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 232' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -66.02 -39.54 90.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.588 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 233' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -86.56 -125.59 1.87 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -165.19 41.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.519 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.583 ' OE1' ' HB3' ' B' ' 363' ' ' ALA . 0.0 OUTLIER -111.59 89.74 3.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.621 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -62.47 -20.12 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.514 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -62.23 -45.61 92.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.516 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.413 ' CG2' ' SD ' ' B' ' 360' ' ' MET . 28.6 p -62.0 -54.57 39.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 239' ' ' ALA . . . . . 0.842 ' HB2' ' CE2' ' B' ' 230' ' ' PHE . . . -58.27 -46.15 86.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.525 ' O ' ' SD ' ' A' ' 21' ' ' MET . . . -61.37 -45.31 94.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.479 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.85 -52.96 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.523 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' B' ' 245' ' ' TYR . 10.9 m-30 -56.82 -57.07 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.584 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' B' ' 242' ' ' PHE . 4.5 t70 -33.66 -46.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 0.827 ' O ' HD23 ' B' ' 244' ' ' LEU . 1.8 tt -77.65 -39.46 45.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' B' ' 242' ' ' PHE . 8.5 t80 -55.0 -53.31 57.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 83.6 p -52.83 -50.17 64.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.605 ' NE2' ' CE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -67.33 -32.23 73.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.507 ' HG ' HD12 ' B' ' 249' ' ' LEU . 7.4 tp -65.68 -46.34 79.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.577 ' O ' ' NH2' ' B' ' 255' ' ' ARG . 8.7 mp -70.66 -43.32 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.617 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 89.3 p -78.65 -7.49 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.473 ' OD1' ' CZ ' ' B' ' 253' ' ' ARG . 42.0 t0 -46.67 115.94 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 252' ' ' THR . . . . . 0.622 ' OG1' ' NH1' ' B' ' 253' ' ' ARG . 9.7 p -52.27 -12.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.669 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.622 ' NH1' ' OG1' ' B' ' 252' ' ' THR . 0.1 OUTLIER -74.95 -52.58 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.471 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 254' ' ' LEU . . . . . 0.709 HD23 HH22 ' B' ' 255' ' ' ARG . 5.8 tp -59.97 -37.61 80.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.574 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.709 HH22 HD23 ' B' ' 254' ' ' LEU . 0.0 OUTLIER -60.72 -45.94 92.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 256' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' B' ' 260' ' ' ALA . 0.0 OUTLIER -50.17 -41.09 48.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.585 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.425 ' OE2' ' CZ ' ' B' ' 279' ' ' PHE . 51.9 mt-10 -61.77 -45.07 95.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.58 HD22 HG11 ' B' ' 275' ' ' VAL . 0.4 OUTLIER -58.78 -64.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.557 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 259' ' ' PHE . . . . . 0.463 ' CE2' ' OD2' ' B' ' 263' ' ' ASP . 60.2 t80 -55.78 -36.66 67.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.597 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 260' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' B' ' 256' ' ' ARG . . . -62.08 -41.05 97.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.544 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -70.4 -42.59 71.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.592 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.55 -38.12 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 263' ' ' ASP . . . . . 0.463 ' OD2' ' CE2' ' B' ' 259' ' ' PHE . 89.9 m-20 -59.48 -17.35 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.66 -20.8 23.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 119.92 22.48 3.25 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.5 m -98.28 155.97 16.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.781 0.325 . . . . 0.0 110.551 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 267' ' ' VAL . . . . . 0.495 HG12 ' HG2' ' B' ' 269' ' ' GLU . 3.4 t -98.6 148.61 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.672 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -52.56 -52.1 56.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.55 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.605 ' OE2' ' NH2' ' B' ' 211' ' ' ARG . 0.9 OUTLIER -38.12 -59.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 270' ' ' TRP . . . . . 0.41 ' O ' ' HB3' ' B' ' 273' ' ' LYS . 0.7 OUTLIER -80.93 -35.56 32.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -52.21 -52.63 51.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.723 ' O ' HG12 ' B' ' 276' ' ' ILE . 18.3 m -70.7 -14.91 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 62.9 tttp -78.86 -33.55 45.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 274' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 278' ' ' LYS . 1.5 m -77.05 -57.94 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.576 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.855 HG23 ' N ' ' B' ' 276' ' ' ILE . 10.7 m -45.24 -60.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.855 ' N ' HG23 ' B' ' 275' ' ' VAL . 2.1 pp -56.14 -41.04 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 42.1 tp10 -67.27 -38.91 85.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 278' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' B' ' 274' ' ' THR . 35.4 ttpt -72.42 -31.61 65.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.65 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 279' ' ' PHE . . . . . 0.425 ' CZ ' ' OE2' ' B' ' 257' ' ' GLU . 2.3 m-85 -78.69 -29.03 45.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 280' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' B' ' 284' ' ' ALA . . . -74.88 -23.25 58.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.643 ' O ' ' HB2' ' B' ' 285' ' ' ALA . 1.2 mp0 -85.64 -53.37 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.654 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 282' ' ' GLN . . . . . 0.4 ' O ' HD23 ' B' ' 286' ' ' LEU . 11.9 tm0? -59.96 -41.58 92.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 5.1 m-30 -71.25 -48.6 50.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.597 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 284' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 280' ' ' ALA . . . -78.29 7.6 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.684 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 285' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' B' ' 281' ' ' GLU . . . -97.47 -3.18 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.741 ' HG ' HD11 ' A' ' 53' ' ' LEU . 3.8 mm? -87.8 -168.74 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.616 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 55.4 m -116.26 -18.23 10.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.586 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 9.9 t0 -60.43 121.21 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -40.04 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -50.04 -41.2 47.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 1.08 HD13 ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.04 -53.61 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.476 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' B' ' 288' ' ' ASP . 19.1 ttmm -37.13 -54.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 293' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' B' ' 294' ' ' ARG . 0.3 OUTLIER -63.69 -38.49 91.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.427 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.55 ' N ' ' HG3' ' B' ' 293' ' ' GLU . 20.1 ttm180 -57.76 -31.19 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -42.1 -46.11 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -44.85 -39.94 6.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -67.19 -41.18 86.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.396 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.33 -53.74 53.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.226 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 299' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' B' ' 300' ' ' ALA . 0.0 OUTLIER -52.74 -36.78 58.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.148 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.473 ' N ' ' HG2' ' B' ' 299' ' ' ARG . . . -65.07 -37.51 87.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.264 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.806 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.1 OUTLIER -48.5 -41.62 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.266 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 302' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -63.53 -40.3 98.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -63.84 -40.66 97.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 110.218 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.402 ' HD3' HH21 ' B' ' 304' ' ' ARG . 6.9 mmm-85 -69.85 -41.07 75.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.204 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 305' ' ' LEU . . . . . 0.609 ' O ' HD12 ' B' ' 309' ' ' LEU . 1.0 OUTLIER -64.35 -39.53 94.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.28 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 306' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 306' ' ' LEU . 2.5 mm? -67.67 -39.84 84.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.4 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -69.36 -43.37 73.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.436 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -74.09 -21.2 60.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.404 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.609 HD12 ' O ' ' B' ' 305' ' ' LEU . 2.2 mt -72.78 -15.72 61.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.431 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.597 ' O ' ' OD1' ' B' ' 313' ' ' ASN . 51.7 m-20 -97.35 111.34 23.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.45 ' O ' ' ND2' ' B' ' 313' ' ' ASN . 94.2 m-20 -57.14 -15.39 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' B' ' 313' ' ' ASN . . . -75.58 -42.96 50.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.597 ' OD1' ' O ' ' B' ' 310' ' ' ASP . 0.3 OUTLIER 44.37 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 314' ' ' GLN . . . . . 0.405 ' NE2' ' C ' ' B' ' 313' ' ' ASN . 13.1 mp0 -139.59 103.06 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.619 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -66.8 160.91 47.33 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.64 142.61 13.6 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.827 2.351 . . . . 0.0 112.064 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 317' ' ' ASN . . . . . 0.44 ' HB3' ' NE1' ' B' ' 319' ' ' TRP . 27.7 t-20 -115.53 163.86 15.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -67.08 83.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.484 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.563 ' HB3' ' HD2' ' B' ' 320' ' ' PRO . 84.8 m95 -94.55 162.2 26.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 0.563 ' HD2' ' HB3' ' B' ' 319' ' ' TRP . 46.1 Cg_endo -72.08 152.74 57.06 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.789 2.326 . . . . 0.0 112.134 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.24 -2.47 21.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' B' ' 182' ' ' ILE . 36.6 mtm105 -157.76 124.89 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.688 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.401 ' HB3' ' HG2' ' B' ' 320' ' ' PRO . 11.4 p90 -155.65 159.04 39.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.501 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 47.8 mm -107.63 144.12 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.46 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.609 HD22 HD21 ' B' ' 335' ' ' LEU . 5.0 tp -83.54 110.78 18.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.711 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 3.3 t -110.12 97.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.66 150.45 48.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.537 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -70.49 -28.83 65.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -134.2 131.34 38.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.489 HD22 ' HB1' ' B' ' 357' ' ' ALA . 0.5 OUTLIER -83.55 126.68 33.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.474 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 1.8 t -136.28 121.69 19.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.33 -41.69 85.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' B' ' 336' ' ' ALA . 0.6 OUTLIER -56.61 -40.92 76.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.561 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 94.5 m -60.58 -45.7 92.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.609 HD21 HD22 ' B' ' 325' ' ' LEU . 92.9 mt -57.51 -29.28 64.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.522 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 336' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' B' ' 333' ' ' THR . . . -62.09 8.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.599 ' H ' ' C ' ' B' ' 335' ' ' LEU . 42.4 mm-40 -99.74 -39.64 8.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.683 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 14.9 mt -110.16 149.68 40.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.595 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.88 149.57 47.8 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.745 2.297 . . . . 0.0 112.098 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -69.49 -7.99 43.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.31 -37.3 63.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -89.13 -15.66 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 9.9 mt -84.65 100.55 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.491 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.39 33.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.711 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 146.42 158.27 7.69 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.723 HG23 HG23 ' B' ' 368' ' ' THR . 11.0 m -146.42 151.55 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 347' ' ' VAL . . . . . 0.417 HG13 HG12 ' B' ' 369' ' ' VAL . 95.3 t -140.74 137.23 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 8.8 p -137.12 152.79 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.636 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 349' ' ' ARG . . . . . 0.455 ' CG ' ' N ' ' B' ' 350' ' ' ASP . 2.7 ptm180 -98.56 -37.33 9.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.455 ' N ' ' CG ' ' B' ' 349' ' ' ARG . 33.5 t70 -134.48 77.71 1.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -126.97 137.38 9.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -71.72 148.18 46.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.814 0.34 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.58 -6.39 59.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -108.08 -13.77 14.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.595 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 10.8 p -46.13 146.03 1.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.5 -20.01 64.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 357' ' ' ALA . . . . . 0.489 ' HB1' HD22 ' B' ' 330' ' ' LEU . . . -85.18 -42.49 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -65.88 -39.82 91.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 14.0 tt -77.47 -22.0 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.621 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 360' ' ' MET . . . . . 0.413 ' SD ' ' CG2' ' B' ' 238' ' ' THR . 9.0 ttt -77.3 -43.39 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.98 ' O ' HG22 ' B' ' 366' ' ' ILE . 17.3 m -65.79 -35.27 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.524 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' B' ' 176' ' ' ALA . 37.2 ttp180 -77.46 -33.07 54.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.655 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.583 ' HB3' ' OE1' ' B' ' 235' ' ' GLN . . . -67.62 -45.41 75.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.483 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 364' ' ' LEU . . . . . 0.96 HD21 ' HA ' ' B' ' 361' ' ' VAL . 2.9 pp -66.59 -29.19 69.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.672 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 365' ' ' GLY . . . . . 0.664 ' N ' HD12 ' B' ' 364' ' ' LEU . . . 97.71 72.07 1.07 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 366' ' ' ILE . . . . . 0.98 HG22 ' O ' ' B' ' 361' ' ' VAL . 2.4 tp -143.05 125.78 8.93 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.949 0.404 . . . . 0.0 110.532 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -47.85 116.77 2.06 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.777 2.318 . . . . 0.0 112.243 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 368' ' ' THR . . . . . 0.723 HG23 HG23 ' B' ' 346' ' ' VAL . 43.2 m -128.94 141.1 51.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 369' ' ' VAL . . . . . 0.417 HG12 HG13 ' B' ' 347' ' ' VAL . 1.0 OUTLIER -136.45 139.88 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.537 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 370' ' ' MET . . . . . 1.091 ' SD ' ' HB2' ' B' ' 176' ' ' ALA . 0.0 OUTLIER -126.49 156.48 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 108.81 -10.11 34.7 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 372' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' B' ' 349' ' ' ARG . . . -55.17 108.46 0.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.81 0.338 . . . . 0.0 110.489 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 30.47 4.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' B' ' 374' ' ' ILE . 8.6 tp -105.83 133.01 51.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.651 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.759 ' O ' HG22 ' B' ' 378' ' ' VAL . 23.0 mp0 -64.15 130.62 94.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.593 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.57 -21.71 21.92 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.882 2.388 . . . . 0.0 112.205 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 40.0 t -56.95 -31.67 65.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.586 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 378' ' ' VAL . . . . . 0.759 HG22 ' O ' ' B' ' 375' ' ' GLN . 10.4 m -85.1 -28.63 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.848 ' O ' ' N ' ' B' ' 381' ' ' ARG . 1.4 mp -72.39 -22.36 61.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 1.013 ' CD2' ' H ' ' B' ' 381' ' ' ARG . 42.6 p-80 24.75 -76.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 1.013 ' H ' ' CD2' ' B' ' 380' ' ' HIS . 0.2 OUTLIER -149.7 28.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 382' ' ' ARG . . . . . 0.428 ' HG2' ' NE2' ' B' ' 380' ' ' HIS . 0.0 OUTLIER -70.77 169.1 15.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.558 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 91.8 m -78.29 132.07 37.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.625 HD12 ' O ' ' B' ' 394' ' ' LEU . 11.3 tp -136.47 115.62 12.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 385' ' ' ILE . . . . . 0.482 HD12 ' N ' ' B' ' 385' ' ' ILE . 1.7 mp -99.61 109.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.612 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 31.4 m -96.5 147.59 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.662 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.3 t0 -137.51 81.22 1.85 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 388' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -46.96 -47.18 19.86 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -46.48 53.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.533 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -9.56 30.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 55.42 49.84 62.67 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 392' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' B' ' 393' ' ' LEU . 85.5 tt0 -132.16 158.41 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 110.639 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.848 ' O ' HD12 ' B' ' 393' ' ' LEU . 3.9 pp -136.14 121.87 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.525 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.642 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 3.3 mm? -95.78 154.58 17.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.629 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.806 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 14.6 p -120.66 105.63 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.599 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.61 ' OD1' ' O ' ' B' ' 395' ' ' VAL . 44.1 p-10 21.22 50.81 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.806 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.4 Cg_endo -72.16 -179.2 3.74 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.791 2.328 . . . . 0.0 112.092 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 398' ' ' GLU . . . . . 0.579 ' HG3' ' HB2' ' B' ' 401' ' ' LEU . 1.3 pm0 -56.75 139.26 77.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.529 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.34 -16.17 27.94 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.724 2.283 . . . . 0.0 112.153 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 79.8 t -76.45 -64.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 401' ' ' LEU . . . . . 0.579 ' HB2' ' HG3' ' B' ' 398' ' ' GLU . 0.7 OUTLIER -54.32 -51.99 62.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 402' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' B' ' 402' ' ' LEU . 0.1 OUTLIER -52.8 -29.93 30.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.634 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -47.55 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.05 -38.75 72.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.597 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -50.55 -50.25 53.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.53 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -63.67 -33.82 76.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -75.32 -33.07 61.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.06 -52.71 17.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.443 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.71 -29.89 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.484 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 97.5 p -71.33 -28.34 64.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 411' ' ' GLU . . . . . 0.493 ' O ' ' C ' ' B' ' 412' ' ' GLU . 13.8 tt0 -125.75 -104.2 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.506 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 411' ' ' GLU . 30.3 tt0 33.08 -125.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.493 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 0.534 HG22 ' N ' ' B' ' 414' ' ' GLU . 7.3 mm -114.38 -106.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 0.534 ' N ' HG22 ' B' ' 413' ' ' ILE . 23.1 tt0 -145.53 -127.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.698 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 15.5 mt -113.76 6.25 16.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.609 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 10.8 t -75.99 -79.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 417' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' B' ' 418' ' ' LEU . 34.9 ttt180 -72.68 -64.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 418' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' B' ' 417' ' ' ARG . 0.4 OUTLIER 77.37 -166.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 419' ' ' ALA . . . . . 0.592 ' HB3' ' OE2' ' B' ' 420' ' ' GLU . . . -103.73 -40.38 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 420' ' ' GLU . . . . . 0.592 ' OE2' ' HB3' ' B' ' 419' ' ' ALA . 1.6 mp0 -82.56 44.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.534 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.63 -19.11 4.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.495 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.77 117.75 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 17.3 m -44.47 -26.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.644 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.562 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -83.01 159.33 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.486 ' O ' HD12 ' A' ' 76' ' ' LEU . 97.4 t -133.39 117.73 28.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HB2' ' OE1' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -124.81 172.51 9.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.604 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -161.72 132.7 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.548 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 6' ' ' THR . 12.5 t -78.43 129.31 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.665 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -130.5 123.36 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.595 ' O ' ' CD ' ' A' ' 8' ' ' GLU . 3.2 pp20? -80.26 127.28 32.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.49 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mm -90.23 105.67 16.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.573 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.1 OUTLIER -83.6 58.94 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 61.28 23.89 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -164.79 101.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.556 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.9 pp -64.11 -7.87 10.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.76 -87.45 0.11 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -117.06 -50.24 2.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.734 0.302 . . . . 0.0 110.532 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.411 ' ND1' ' CZ ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER 174.68 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 1.012 ' HB3' HH11 ' A' ' 18' ' ' ARG . . . -169.51 -13.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.567 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 1.012 HH11 ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -57.12 -54.19 57.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.791 ' O ' HD13 ' A' ' 23' ' ' LEU . 51.0 Cg_exo -48.1 -51.5 9.9 Favored 'Trans proline' 0 C--N 1.303 -1.822 0 C-N-CA 122.733 2.288 . . . . 0.0 112.174 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.09 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -40.44 80.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.458 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.489 ' O ' HD13 ' A' ' 26' ' ' LEU . 45.1 mttp -63.73 -37.32 86.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.791 HD13 ' O ' ' A' ' 19' ' ' PRO . 4.9 mp -50.31 -43.91 53.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -38.67 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.38 -34.65 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.852 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 5.3 mp -68.23 -40.24 82.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.813 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 66.2 ttp -58.8 -28.86 66.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -86.6 -27.67 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.19 -24.5 36.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.852 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.5 p90 -119.66 138.25 53.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.752 0.311 . . . . 0.0 110.635 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.741 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 66.6 t0 -80.33 109.15 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.625 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.847 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.99 148.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -98.21 128.32 44.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.742 ' C ' HD12 ' A' ' 35' ' ' LEU . 8.8 p -106.21 133.06 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.742 HD12 ' C ' ' A' ' 34' ' ' VAL . 7.0 mp -134.2 139.15 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.628 HD23 ' C ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -109.19 150.24 28.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.41 136.45 23.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.625 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.514 ' OD1' ' SD ' ' A' ' 54' ' ' MET . 13.6 m120 -93.78 153.56 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.57 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 45.8 p-10 -50.65 -27.97 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 93.8 mt-10 -68.06 -11.72 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.625 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.3 11.06 58.87 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.9 p -84.12 117.44 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.658 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 3.0 tm-20 -78.18 103.39 8.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.647 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.32 65.66 7.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.626 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.579 ' OE2' ' ND2' ' A' ' 47' ' ' ASN . 2.8 mt-10 -41.18 120.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.9 -9.22 8.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.579 ' ND2' ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -100.4 27.72 5.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.85 122.88 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.594 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.829 ' O ' HD12 ' A' ' 53' ' ' LEU . 6.6 p -62.86 -35.41 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 51' ' ' ALA . 20.6 pt -61.47 -37.83 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.621 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.647 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -64.8 -42.37 95.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.13 -39.05 77.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.829 HD12 ' O ' ' A' ' 49' ' ' VAL . 1.1 mp -65.03 -36.63 85.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.586 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.514 ' SD ' ' OD1' ' A' ' 38' ' ' ASN . 4.9 tmm? -68.29 -36.12 78.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.5 tt -63.41 -35.83 81.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.585 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD2' ' CG ' ' B' ' 291' ' ' LEU . 85.6 m-20 -53.15 -34.79 58.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -76.36 -6.37 51.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.46 29.28 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -69.4 97.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.57 5.25 39.61 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -105.95 165.15 11.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.316 . . . . 0.0 110.652 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.4 143.43 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.499 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 63' ' ' ILE . 8.1 pt -130.92 161.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.631 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -123.69 100.85 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.4 t -80.92 128.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -120.54 139.06 53.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.9 130.82 30.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.664 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 t -124.02 129.08 50.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.477 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.42 161.38 8.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -46.9 -45.39 20.83 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.908 2.405 . . . . 0.0 112.071 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 74' ' ' GLU . 50.5 mt-30 -93.97 6.95 46.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 14.5 pt-20 -37.87 -37.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -49.15 73.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.512 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 71' ' ' GLN . 15.8 tm-20 -56.94 -51.9 67.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.641 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.701 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.41 -49.27 72.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -64.79 -43.91 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.618 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.15 99.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.558 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.28 99.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.577 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 75' ' ' ALA . 47.0 t -67.02 -41.87 87.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.5 mm -65.17 -41.09 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.608 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.67 81.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.4 mt -73.58 -38.97 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.733 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.13 -22.92 61.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -90.51 -3.77 57.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.087 -0.958 . . . . 0.0 110.65 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 16.6 mm -102.04 131.6 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.73 109.45 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.505 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.607 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -109.45 160.68 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' B' ' 370' ' ' MET . 11.8 mt -79.2 115.59 53.95 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.25 110.51 2.97 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.817 2.345 . . . . 0.0 112.158 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -91.91 -25.57 18.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.29 103.21 3.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.52 155.12 1.44 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.779 2.319 . . . . 0.0 112.202 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 125.82 164.08 11.72 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 32.7 m -106.68 156.3 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 181' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' B' ' 386' ' ' VAL . . . -150.04 122.13 8.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.471 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 5.1 pt -122.14 117.49 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.473 ' HB3' HG23 ' B' ' 324' ' ' ILE . . . -179.41 179.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 184' ' ' GLU . . . . . 0.617 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 7.8 mp0 -85.91 169.11 13.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.59 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.589 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -94.43 144.93 17.44 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 186' ' ' TRP . . . . . 0.515 ' CH2' ' NH1' ' B' ' 381' ' ' ARG . 37.9 t-105 -134.96 118.25 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 187' ' ' GLN . . . . . 0.627 ' NE2' ' O ' ' B' ' 188' ' ' ASP . 8.6 tm0? -63.55 126.01 26.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.627 ' O ' ' NE2' ' B' ' 187' ' ' GLN . 17.2 t0 -53.57 116.18 2.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.633 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -60.52 -13.91 16.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 190' ' ' THR . . . . . 0.42 ' OG1' ' OD1' ' B' ' 188' ' ' ASP . 0.0 OUTLIER -76.89 118.12 19.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.583 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 191' ' ' LEU . . . . . 0.827 ' HB2' ' HD2' ' B' ' 192' ' ' PRO . 0.0 OUTLIER -136.7 177.04 2.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.61 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.827 ' HD2' ' HB2' ' B' ' 191' ' ' LEU . 45.4 Cg_endo -71.94 130.02 16.14 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.741 2.294 . . . . 0.0 112.12 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.443 HD23 ' H ' ' B' ' 193' ' ' LEU . 0.4 OUTLIER -89.61 12.76 15.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.605 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 46.3 mtt -65.57 -38.37 89.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -98.48 -14.28 20.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.604 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -71.56 -36.44 70.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.631 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.411 HG13 ' O ' ' B' ' 193' ' ' LEU . 30.9 m -65.78 146.87 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -117.15 122.97 45.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.569 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.16 130.9 34.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -150.04 142.13 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 30.4 m -84.59 80.82 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 202' ' ' THR . . . . . 0.786 ' C ' HD13 ' B' ' 203' ' ' LEU . 3.7 m -158.78 108.72 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.615 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 1.055 HD13 ' N ' ' B' ' 203' ' ' LEU . 0.0 OUTLIER -91.62 147.3 23.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.733 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -158.16 93.42 2.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -70.5 -12.06 30.88 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.782 2.321 . . . . 0.0 112.13 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -98.41 -43.42 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.533 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 207' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' B' ' 211' ' ' ARG . 2.9 tp -85.9 -31.9 21.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.463 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.733 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 81.9 mm-40 -73.07 -59.06 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 30.1 mtp-105 -53.38 -47.91 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.448 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -65.28 -40.56 94.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.447 HH12 ' CD ' ' B' ' 269' ' ' GLU . 8.9 mtp-105 -55.65 -41.24 73.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.471 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.824 ' C ' HD13 ' B' ' 212' ' ' LEU . 3.3 tm? -67.4 -52.62 37.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 96.0 m -52.42 -48.26 65.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.59 -36.44 85.38 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -70.21 -43.8 69.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.698 0.285 . . . . 0.0 110.54 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.989 HD23 ' N ' ' B' ' 217' ' ' GLU . 0.0 OUTLIER -57.92 -46.25 85.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.989 ' N ' HD23 ' B' ' 216' ' ' LEU . 13.8 tm-20 -61.26 -29.22 69.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.44 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -84.74 -28.2 26.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -90.4 -49.21 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.9 -47.25 80.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.678 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 221' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -68.56 -30.15 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.689 ' O ' ' CD1' ' B' ' 226' ' ' TYR . 3.7 tm-20 -74.86 -35.64 62.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.497 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -81.55 -47.07 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 224' ' ' ARG . . . . . 0.411 HH21 ' HD2' ' B' ' 224' ' ' ARG . 30.7 ttm105 -59.99 -48.63 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -68.16 -38.84 82.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.689 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 2.7 m-85 -58.31 -54.08 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.488 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 227' ' ' SER . . . . . 0.484 ' OG ' ' HB2' ' B' ' 242' ' ' PHE . 45.5 m -56.52 -54.73 42.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.479 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -43.84 6.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -47.04 88.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.683 ' O ' ' N ' ' B' ' 234' ' ' ALA . 25.6 m-85 -60.4 -42.36 95.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -49.48 -38.32 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.78 -23.04 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.561 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -115.33 -58.25 0.35 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.683 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -66.17 -147.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.597 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 235' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.16 -165.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.513 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 236' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' B' ' 240' ' ' ALA . 0.5 OUTLIER -59.55 -33.58 71.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.581 ' CG ' ' N ' ' B' ' 238' ' ' THR . 8.4 pt-20 -41.04 -46.77 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.663 ' O ' ' CG1' ' B' ' 241' ' ' ILE . 12.9 p -70.23 -48.64 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -65.04 -27.85 69.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 236' ' ' LYS . . . -67.68 -48.21 67.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.541 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.919 ' O ' ' HG ' ' B' ' 244' ' ' LEU . 6.5 pt -59.97 -60.29 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.756 ' H ' HG13 ' B' ' 241' ' ' ILE . 0.0 OUTLIER -46.17 -58.43 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.587 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.619 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 64.9 t0 -33.01 -55.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 1.03 HD12 ' N ' ' B' ' 245' ' ' TYR . 4.2 pp -79.34 -46.77 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 1.03 ' N ' HD12 ' B' ' 244' ' ' LEU . 0.1 OUTLIER -45.92 -56.78 5.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 2.0 p -55.6 -49.56 72.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.49 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.52 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 34.5 m170 -67.84 -23.77 65.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.938 HD23 ' N ' ' B' ' 249' ' ' LEU . 0.4 OUTLIER -71.46 -50.49 31.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.534 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.938 ' N ' HD23 ' B' ' 248' ' ' LEU . 3.2 tm? -80.62 -40.81 25.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 250' ' ' SER . . . . . 0.488 ' HG ' ' HA ' ' B' ' 247' ' ' HIS . 60.7 p -63.53 -23.27 67.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.941 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 12.6 p30 -49.49 131.42 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 71.4 p -68.82 3.17 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 253' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -75.37 -44.2 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 254' ' ' LEU . . . . . 0.41 ' HB3' HH11 ' B' ' 255' ' ' ARG . 1.0 OUTLIER -73.05 -50.58 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.551 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.907 ' N ' ' HE ' ' B' ' 255' ' ' ARG . 0.5 OUTLIER -48.05 -53.06 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -60.33 -44.03 95.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.674 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 19.9 mm-40 -54.1 -50.82 65.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.4 -59.25 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 259' ' ' PHE . . . . . 0.507 ' N ' ' CD2' ' B' ' 259' ' ' PHE . 2.0 m-85 -52.43 -33.88 46.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.68 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 260' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -58.7 -41.43 86.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.66 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.11 -41.59 85.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 262' ' ' VAL . . . . . 0.496 HG22 ' O ' ' B' ' 266' ' ' SER . 87.2 t -67.18 -33.28 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.519 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.65 -20.62 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.521 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -94.71 -18.96 20.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 265' ' ' GLY . . . . . 0.725 ' O ' HD12 ' B' ' 203' ' ' LEU . . . 123.76 19.51 2.75 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 266' ' ' SER . . . . . 0.496 ' O ' HG22 ' B' ' 262' ' ' VAL . 75.1 m -90.94 155.57 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.478 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 267' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 202' ' ' THR . 57.8 t -97.86 146.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.624 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.489 ' CB ' ' OE1' ' B' ' 208' ' ' GLU . . . -50.98 -46.27 61.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.456 ' H ' HG12 ' B' ' 267' ' ' VAL . 1.4 mp0 -43.6 -58.74 2.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -40.59 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.492 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.452 ' O ' HG12 ' B' ' 275' ' ' VAL . . . -54.94 -44.35 74.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.476 ' O ' HG12 ' B' ' 276' ' ' ILE . 94.3 t -64.03 -35.1 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.537 ' HA ' HD11 ' B' ' 276' ' ' ILE . 73.3 tttt -80.7 -38.47 28.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 69.0 m -68.8 -53.45 21.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.656 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.793 HG13 ' N ' ' B' ' 276' ' ' ILE . 11.5 p -48.93 -56.99 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.793 ' N ' HG13 ' B' ' 275' ' ' VAL . 28.3 pt -57.49 -39.8 71.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.505 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 55.1 mm-40 -68.22 -36.32 79.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -70.13 -35.27 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 279' ' ' PHE . . . . . 0.843 ' O ' ' CD2' ' B' ' 283' ' ' PHE . 14.6 m-85 -83.37 -23.44 32.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 280' ' ' ALA . . . . . 0.82 ' O ' ' CB ' ' B' ' 284' ' ' ALA . . . -62.3 -47.35 84.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 14.9 mp0 -83.94 -21.5 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 282' ' ' GLN . . . . . 0.542 ' OE1' ' CD2' ' B' ' 279' ' ' PHE . 51.6 tt0 -58.04 -60.83 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.843 ' CD2' ' O ' ' B' ' 279' ' ' PHE . 30.0 p90 -86.15 -32.45 21.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 284' ' ' ALA . . . . . 0.82 ' CB ' ' O ' ' B' ' 280' ' ' ALA . . . -57.38 -14.8 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.74 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 286' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.12 177.6 8.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 83.8 p -102.58 -20.14 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.785 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 44.7 p-10 -52.15 96.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.514 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.89 -46.8 61.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.572 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 290' ' ' TYR . . . . . 0.411 ' CZ ' ' ND1' ' A' ' 16' ' ' HIS . 30.6 t80 -54.03 -21.99 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.554 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.527 HD12 ' HG ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -118.22 -48.02 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.785 ' CB ' ' O ' ' B' ' 288' ' ' ASP . 39.5 tttt -40.14 -39.89 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.463 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 293' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' B' ' 295' ' ' ALA . 8.6 mt-10 -53.25 -20.88 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.694 HH22 HD13 ' B' ' 244' ' ' LEU . 34.4 ttm-85 -38.67 -30.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 295' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -39.39 -53.81 1.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.443 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -50.74 -44.29 48.01 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.5 ' O ' ' OH ' ' B' ' 245' ' ' TYR . 3.2 m-20 -71.36 -44.89 64.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.48 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -54.93 40.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.331 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 299' ' ' ARG . . . . . 0.4 HH21 ' HD3' ' B' ' 299' ' ' ARG . 25.9 ttp-105 -53.74 -40.7 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.401 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.752 ' HB1' HG21 ' B' ' 333' ' ' THR . . . -61.58 -37.96 85.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.898 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.1 OUTLIER -56.27 -41.7 76.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.407 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 302' ' ' GLY . . . . . 0.622 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -59.89 -42.67 98.29 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -59.43 -39.72 84.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.377 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.588 ' NH2' ' OE1' ' B' ' 337' ' ' GLU . 0.0 OUTLIER -66.04 -41.7 90.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.375 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 305' ' ' LEU . . . . . 0.604 HD23 HD12 ' B' ' 301' ' ' LEU . 3.6 mm? -69.17 -39.95 78.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.366 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 306' ' ' LEU . . . . . 0.582 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.1 OUTLIER -65.52 -40.69 93.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -69.48 -40.18 77.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.454 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 74.7 m-70 -73.51 -22.05 60.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.404 HD12 ' O ' ' B' ' 305' ' ' LEU . 3.9 mt -75.28 -13.5 60.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.582 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 5.1 m-20 -123.02 108.35 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -49.64 -21.22 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.63 ' O ' ' N ' ' B' ' 314' ' ' GLN . . . -75.11 -11.38 60.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.663 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.479 ' O ' ' HB2' ' B' ' 314' ' ' GLN . 70.1 m-80 62.84 -43.67 0.19 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.582 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 314' ' ' GLN . . . . . 0.63 ' N ' ' O ' ' B' ' 312' ' ' ALA . 14.6 mt-30 75.88 102.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.526 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 315' ' ' GLY . . . . . 0.567 ' O ' ' O ' ' B' ' 316' ' ' PRO . . . 90.33 63.31 1.24 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 316' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 315' ' ' GLY . 52.7 Cg_exo -47.56 -163.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.903 2.402 . . . . 0.0 112.073 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 317' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' B' ' 316' ' ' PRO . 0.7 OUTLIER 37.1 51.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.614 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 318' ' ' ALA . . . . . 0.587 ' O ' HD11 ' B' ' 338' ' ' LEU . . . -80.7 -21.89 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -108.93 102.16 47.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -72.32 175.43 10.01 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.777 2.318 . . . . 0.0 112.082 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -100.58 -59.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.812 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 7.4 ptm180 -142.21 100.31 3.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.638 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.812 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 83.6 m-85 -163.57 167.33 21.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.537 ' CD1' HG13 ' B' ' 326' ' ' VAL . 1.6 pp -102.07 156.97 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.475 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.571 ' HB3' HG13 ' B' ' 346' ' ' VAL . 4.6 tp -91.39 123.09 34.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.621 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.537 HG13 ' CD1' ' B' ' 324' ' ' ILE . 0.0 OUTLIER -122.78 90.92 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -122.2 155.24 36.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 328' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 41.8 p30 -73.2 -17.45 61.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.441 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 19.1 tp10 -149.98 133.05 16.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.533 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 4.4 mt -86.7 118.8 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 32.6 p -116.43 131.0 57.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.523 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.04 -38.79 62.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.558 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.752 HG21 ' HB1' ' B' ' 300' ' ' ALA . 90.9 m -58.2 -43.34 87.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 91.1 m -59.0 -52.43 65.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.722 HD23 ' C ' ' B' ' 335' ' ' LEU . 9.0 tt -49.65 -46.8 50.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -74.11 6.79 3.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.588 ' OE1' ' NH2' ' B' ' 304' ' ' ARG . 1.2 tt0 -104.17 -40.16 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.59 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.587 HD11 ' O ' ' B' ' 318' ' ' ALA . 1.8 tp -106.0 118.42 55.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.69 136.42 21.55 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.851 2.367 . . . . 0.0 112.004 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.86 -31.85 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.635 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -46.47 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.428 ' N ' ' HD3' ' B' ' 342' ' ' ARG . 18.8 mmt180 -75.73 -18.17 59.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.814 HD11 ' O ' ' B' ' 345' ' ' GLY . 50.5 tp -90.87 106.04 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.475 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 11.3 m -109.46 14.68 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.633 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 345' ' ' GLY . . . . . 0.814 ' O ' HD11 ' B' ' 343' ' ' LEU . . . 176.98 155.48 13.68 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.571 HG13 ' HB3' ' B' ' 325' ' ' LEU . 1.3 t -143.65 137.39 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.56 126.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 9.8 p -125.88 149.5 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 349' ' ' ARG . . . . . 0.49 HH11 ' C ' ' B' ' 373' ' ' ASP . 57.1 mtp180 -88.18 -39.63 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.488 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.43 80.8 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.587 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -123.96 130.87 7.78 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 352' ' ' ALA . . . . . 0.591 ' HB3' ' OG ' ' B' ' 355' ' ' SER . . . -95.63 140.67 30.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.541 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.75 -27.5 65.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.555 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.63 -3.3 49.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 355' ' ' SER . . . . . 0.591 ' OG ' ' HB3' ' B' ' 352' ' ' ALA . 58.9 m -73.55 143.33 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -60.35 -39.35 86.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.475 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.12 90.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.48 94.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.661 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.13 -38.84 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.625 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 55.5 mtt -64.22 -48.55 75.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.59 -43.86 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 12.7 ttp-105 -62.59 -46.18 89.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.63 -30.62 71.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.56 -32.38 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.22 32.62 9.47 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 4.6 mm -104.96 121.27 47.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.657 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.31 120.9 4.77 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.845 2.364 . . . . 0.0 112.147 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 84.9 m -149.42 148.53 29.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.6 151.34 26.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.607 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 0.6 OUTLIER -124.8 160.32 28.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.62 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.71 -0.74 58.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -54.42 110.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 373' ' ' ASP . . . . . 0.49 ' C ' HH11 ' B' ' 349' ' ' ARG . 60.2 m-20 -99.95 56.61 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.685 ' O ' HD13 ' B' ' 374' ' ' ILE . 0.1 OUTLIER -133.49 155.61 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -95.26 105.29 18.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 376' ' ' PRO . . . . . 0.54 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 51.8 Cg_exo -47.99 -28.09 9.84 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.822 2.348 . . . . 0.0 112.173 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 47.7 t -55.45 -49.09 73.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.624 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.7 -35.08 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.553 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.63 ' O ' ' N ' ' B' ' 381' ' ' ARG . 16.1 mt -83.8 -46.8 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.589 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.2 OUTLIER 52.18 -78.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.63 ' N ' ' O ' ' B' ' 379' ' ' LEU . 1.4 mpt_? -132.51 25.03 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -71.69 175.7 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.621 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 37.9 m -83.74 129.76 34.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.404 HD21 HD13 ' B' ' 379' ' ' LEU . 3.3 mp -122.26 145.71 47.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.632 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 82.9 mt -130.69 100.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.556 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 386' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' B' ' 181' ' ' ALA . 49.2 t -93.46 147.95 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.8 t0 -140.36 82.81 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.59 -45.88 30.1 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -47.67 -43.23 26.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.615 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 390' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' B' ' 391' ' ' GLY . 11.5 mmp_? -108.9 6.65 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.638 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 35.93 61.31 0.78 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 392' ' ' GLU . . . . . 0.515 ' HG2' ' N ' ' B' ' 393' ' ' LEU . 34.3 tt0 -135.01 160.77 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.53 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.549 HD23 ' C ' ' B' ' 393' ' ' LEU . 3.8 tt -127.74 109.64 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.462 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 18.4 mt -95.49 161.18 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.781 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 94.0 t -126.86 102.05 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.511 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.624 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.4 OUTLIER 18.84 52.4 0.1 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.594 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.781 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 40.6 Cg_endo -70.61 -177.04 1.95 Allowed 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.817 2.345 . . . . 0.0 112.109 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 398' ' ' GLU . . . . . 0.513 ' HB2' HG12 ' B' ' 400' ' ' VAL . 1.8 pm0 -57.93 139.21 82.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.77 -14.2 26.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.732 2.288 . . . . 0.0 112.136 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 400' ' ' VAL . . . . . 0.552 HG13 ' N ' ' B' ' 401' ' ' LEU . 8.4 p -77.56 -43.26 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.632 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 401' ' ' LEU . . . . . 0.552 ' N ' HG13 ' B' ' 400' ' ' VAL . 0.1 OUTLIER -60.76 -53.11 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.611 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.51 -27.75 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -60.65 -58.08 9.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.517 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 404' ' ' GLU . . . . . 0.667 ' O ' ' N ' ' B' ' 407' ' ' ARG . 14.4 tt0 -72.09 -48.48 43.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.539 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 405' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' B' ' 404' ' ' GLU . 18.2 t80 -33.94 -45.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.609 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -66.89 -34.52 77.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.499 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.667 ' N ' ' O ' ' B' ' 404' ' ' GLU . 9.7 ttp180 -73.37 -35.55 65.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.545 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 408' ' ' LEU . 44.7 mt -73.1 -49.45 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.531 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -31.17 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.597 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 86.7 p -88.24 -22.15 24.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -113.24 27.92 9.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.561 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' B' ' 414' ' ' GLU . 14.2 tp10 -152.19 -110.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 0.615 ' O ' ' C ' ' B' ' 414' ' ' GLU . 14.2 pt -67.8 50.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.546 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 0.615 ' C ' ' O ' ' B' ' 413' ' ' ILE . 43.9 tp10 -18.11 -90.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.32 -82.06 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.546 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.8 p -104.01 31.15 4.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 417' ' ' ARG . . . . . 0.655 ' O ' ' N ' ' B' ' 419' ' ' ALA . 0.4 OUTLIER -76.69 -64.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.647 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 418' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' B' ' 419' ' ' ALA . 0.7 OUTLIER 54.04 -74.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 419' ' ' ALA . . . . . 0.655 ' N ' ' O ' ' B' ' 417' ' ' ARG . . . 77.64 24.93 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 60.69 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 421' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' B' ' 419' ' ' ALA . 23.3 t0 52.93 98.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.486 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.652 ' O ' ' C ' ' B' ' 423' ' ' VAL . 34.4 p30 -169.54 143.87 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.574 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 423' ' ' VAL . . . . . 0.652 ' C ' ' O ' ' B' ' 422' ' ' ASP . 2.7 t 14.59 71.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.592 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.405 ' SD ' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.405 HG22 ' SD ' ' A' ' 1' ' ' MET . 5.0 t -84.15 158.87 21.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.492 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.497 ' O ' HG12 ' A' ' 3' ' ' VAL . 1.0 OUTLIER -132.63 119.6 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.497 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -126.28 172.79 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.658 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -162.47 133.73 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 p -80.17 129.06 34.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.48 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 m -129.85 123.6 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 58.1 mp0 -79.62 127.01 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.635 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.476 HD12 HD23 ' A' ' 13' ' ' LEU . 19.2 mm -89.95 104.83 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 10' ' ' THR . 61.0 m -81.31 55.52 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.507 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.2 t30 61.99 25.82 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.504 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' A' ' 14' ' ' GLY . 12.8 tptt -164.4 94.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.582 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.476 HD23 HD12 ' A' ' 9' ' ' ILE . 15.9 mt -59.84 -0.08 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.432 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 1.045 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 73.77 27.49 66.93 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . 1.362 ' HA ' ' CD ' ' A' ' 19' ' ' PRO . 1.7 ptp -133.35 -86.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.699 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.776 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 2.8 t60 67.92 5.25 4.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.475 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 140.84 39.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.523 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.774 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 3.6 mtp180 -160.01 -68.74 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.679 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.362 ' CD ' ' HA ' ' A' ' 15' ' ' MET . 50.2 Cg_exo -48.88 -62.32 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.945 2.43 . . . . 0.0 112.182 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.224 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -53.17 -44.69 68.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.7 tpt -69.03 -42.27 76.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 12.4 tptt -60.65 -39.24 87.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.599 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 23' ' ' LEU . 5.9 tt -48.33 -46.66 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -55.79 -40.92 73.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.5 -36.12 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.708 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.88 -42.18 85.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 49.4 ttm -55.73 -31.45 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -82.55 -34.2 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.68 -32.26 42.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -104.52 155.09 19.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 0.0 110.581 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.819 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -99.13 93.61 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.686 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 168.51 156.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.21 129.58 46.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.1 t -107.22 133.6 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 36' ' ' LEU . 72.5 mt -135.34 138.17 43.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.565 HD12 ' C ' ' A' ' 35' ' ' LEU . 11.1 mp -108.47 150.66 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -146.73 135.48 22.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.622 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -92.48 154.1 18.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -51.66 -26.55 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.63 -10.0 56.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.69 12.01 59.9 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.1 m -85.33 116.77 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.489 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 2.2 pm0 -77.98 103.49 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.637 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.6 65.41 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.546 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -40.55 121.14 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.563 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.69 -10.51 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.616 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.8 28.76 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.539 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -146.51 122.88 10.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 50' ' ' ILE . 4.8 m -62.93 -36.59 76.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.79 HD12 ' CE1' ' B' ' 283' ' ' PHE . 3.5 tt -61.23 -36.45 72.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.637 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.86 -42.96 89.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.224 HD21 ' CB ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -58.51 -38.1 76.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.116 ' O ' HD21 ' B' ' 291' ' ' LEU . 7.3 mp -64.84 -36.64 84.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.658 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 46.3 mtt -67.62 -38.75 84.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 92.8 mt -61.46 -35.47 77.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 5.4 m-20 -52.64 -34.35 50.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.56 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.0 p -77.85 -6.25 53.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.02 28.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.54 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 56' ' ' ASP . 4.5 mmtp -68.96 97.35 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.48 5.36 39.74 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.26 164.64 11.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.607 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -97.56 144.21 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.643 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.549 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -131.89 161.11 41.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.538 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.549 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.9 mt-10 -123.12 102.11 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 63' ' ' ILE . 4.2 t -82.02 127.5 39.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -119.65 141.06 49.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.52 129.52 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.677 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.737 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 9.9 t -120.31 141.47 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.577 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.04 -177.37 18.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.819 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 49.0 Cg_endo -72.4 -36.93 4.76 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.807 2.338 . . . . 0.0 112.155 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.456 ' O ' ' C ' ' A' ' 72' ' ' GLU . 63.5 mm-40 -97.85 3.01 49.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.58 ' CD ' ' N ' ' A' ' 73' ' ' GLU . 1.5 pp20? -35.34 -42.72 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.599 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.58 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 16.1 tm-20 -58.45 -49.98 75.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' GLN . 69.9 mm-40 -58.14 -50.93 71.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.532 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.79 -49.29 75.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.7 -44.07 91.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.44 99.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.98 98.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.32 -42.72 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.59 -41.4 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.437 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.21 83.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.477 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.11 -37.51 66.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.65 -33.06 72.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.452 ' O ' ' CB ' ' A' ' 85' ' ' SER . 3.1 m120 -81.47 -5.21 57.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.65 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 18.4 ttp85 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 49.2 mt -114.36 134.75 56.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.15 109.6 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 1.047 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -114.08 153.47 29.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.584 ' N ' ' O ' ' B' ' 370' ' ' MET . 80.1 mt -66.37 112.63 9.75 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -72.76 110.74 3.08 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.9 2.4 . . . . 0.0 112.16 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 176' ' ' ALA . . . . . 0.524 ' O ' ' HD3' ' B' ' 362' ' ' ARG . . . -83.24 -38.48 22.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.428 ' O ' ' HA3' ' B' ' 388' ' ' GLY . . . -133.45 131.83 21.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.14 144.4 42.03 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.779 2.32 . . . . 0.0 112.167 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 135.93 164.55 10.33 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.9 p -126.09 145.92 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 110.477 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 181' ' ' ALA . . . . . 0.485 ' HB1' HH11 ' B' ' 322' ' ' ARG . . . -152.32 150.74 30.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 2.1 pt -130.04 134.85 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.471 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 178.67 177.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 184' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' B' ' 381' ' ' ARG . 65.5 mm-40 -78.8 158.69 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -95.01 144.28 17.1 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -146.47 108.83 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.542 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.91 142.08 58.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.538 ' HB2' ' HB2' ' B' ' 327' ' ' ALA . 50.0 t0 -58.23 118.65 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.486 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 189' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -63.49 -15.11 56.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.682 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 190' ' ' THR . . . . . 0.535 ' C ' ' O ' ' B' ' 189' ' ' ALA . 0.9 OUTLIER -29.0 100.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.518 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 191' ' ' LEU . . . . . 0.657 HD23 ' O ' ' B' ' 192' ' ' PRO . 6.9 tt -146.21 115.53 4.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.545 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.657 ' O ' HD23 ' B' ' 191' ' ' LEU . 52.1 Cg_exo -47.81 148.81 5.85 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.851 2.367 . . . . 0.0 112.021 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.972 HD22 ' N ' ' B' ' 193' ' ' LEU . 0.8 OUTLIER -98.55 6.85 46.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -48.12 -36.29 13.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -83.79 -38.46 21.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.38 -23.14 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 193' ' ' LEU . 89.7 t -73.03 133.46 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.494 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.7 156.24 20.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.548 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.37 107.03 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -126.75 139.28 53.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.556 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 31.4 m -137.22 81.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.603 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 6.6 m -151.25 116.64 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 0.669 ' O ' HD23 ' B' ' 203' ' ' LEU . 0.5 OUTLIER -80.12 126.91 31.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.587 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -148.96 78.45 8.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.015 0.436 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -46.93 -17.55 0.42 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.917 2.411 . . . . 0.0 112.076 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -82.9 -55.63 4.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 4.9 mt -76.66 -38.66 54.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 208' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -63.66 -56.97 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 209' ' ' ARG . . . . . 0.522 ' O ' ' HG ' ' B' ' 212' ' ' LEU . 46.8 ttp180 -55.63 -41.75 73.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.482 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -72.4 -36.92 68.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.401 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.512 HH12 ' CD ' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -52.4 -53.73 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.363 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.695 ' HG ' ' H ' ' B' ' 213' ' ' THR . 2.3 pp -66.18 -45.65 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.383 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 213' ' ' THR . . . . . 0.695 ' H ' ' HG ' ' B' ' 212' ' ' LEU . 57.1 m -58.93 -52.06 67.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.19 -35.52 88.1 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.28 -41.28 66.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.403 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.667 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.4 tp -56.4 -52.07 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.448 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.536 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 2.6 mm-40 -50.48 -34.05 23.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.362 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -81.58 -36.33 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.358 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 219' ' ' ALA . . . . . 0.495 ' HB2' ' ND1' ' B' ' 308' ' ' HIS . . . -83.49 -50.7 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.76 -46.59 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 94.4 m-20 -62.79 -31.64 72.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.355 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 3.6 tt0 -66.26 -42.04 89.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.444 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -66.19 -44.2 84.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -62.97 -42.58 99.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 225' ' ' ARG . . . . . 0.417 ' C ' ' NH2' ' B' ' 229' ' ' ARG . 73.4 mtm-85 -70.25 -33.49 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' B' ' 222' ' ' GLU . 2.0 m-85 -59.49 -59.2 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.73 -45.2 39.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.513 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -62.51 -38.94 91.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.432 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 229' ' ' ARG . . . . . 0.417 ' NH2' ' C ' ' B' ' 225' ' ' ARG . 0.0 OUTLIER -73.1 -42.65 62.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.713 ' O ' ' HB3' ' B' ' 234' ' ' ALA . 6.1 m-85 -66.94 -45.09 78.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.47 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.36 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.04 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -169.49 51.32 0.21 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' B' ' 230' ' ' PHE . . . -144.54 174.41 10.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 0.0 110.575 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.415 ' HG2' ' H ' ' B' ' 237' ' ' GLU . 61.3 tt0 -63.18 151.53 40.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -67.27 -41.77 84.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.509 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.415 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 2.3 tt0 -51.59 -50.57 59.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.477 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -54.27 -52.7 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -52.91 -42.89 65.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -67.25 -27.06 66.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.598 HG22 ' N ' ' B' ' 242' ' ' PHE . 0.9 OUTLIER -65.4 -53.14 43.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.598 ' N ' HG22 ' B' ' 241' ' ' ILE . 56.0 m-85 -61.59 -57.63 11.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -44.56 -48.12 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.469 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 0.58 HD23 HH11 ' B' ' 294' ' ' ARG . 17.3 tp -65.98 -37.78 86.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -71.0 -40.62 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.608 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 3.7 p -44.34 -45.84 9.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.545 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.53 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 7.4 t-80 -73.61 -27.44 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.685 ' C ' HD23 ' B' ' 248' ' ' LEU . 8.9 tt -67.45 -48.23 67.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.616 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.728 ' HG ' HD11 ' B' ' 301' ' ' LEU . 0.4 OUTLIER -70.4 -41.9 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.635 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 55.6 p -76.53 -12.72 60.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.613 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.871 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 19.9 p-10 -52.67 123.51 11.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 252' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' B' ' 256' ' ' ARG . 69.4 p -56.7 -1.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.564 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.705 ' HE ' ' N ' ' B' ' 254' ' ' LEU . 0.5 OUTLIER -80.64 -55.8 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.525 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 254' ' ' LEU . . . . . 0.763 ' O ' HD23 ' B' ' 254' ' ' LEU . 3.7 tt -65.42 -41.84 93.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 76.7 mtp180 -60.68 -44.91 95.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 256' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' B' ' 252' ' ' THR . 5.9 tmm_? -67.62 -39.69 84.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.591 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.26 -54.35 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.603 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.789 ' C ' HD12 ' B' ' 258' ' ' LEU . 0.6 OUTLIER -64.64 -42.05 95.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.606 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 259' ' ' PHE . . . . . 0.657 ' N ' ' HG ' ' B' ' 258' ' ' LEU . 39.4 t80 -62.94 -37.42 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.96 89.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 261' ' ' GLU . . . . . 0.441 ' C ' ' OG ' ' B' ' 266' ' ' SER . 1.6 mp0 -64.01 -39.51 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.0 -40.68 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.638 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -11.6 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -94.33 -19.5 20.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 126.09 11.3 3.92 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 266' ' ' SER . . . . . 0.441 ' OG ' ' C ' ' B' ' 261' ' ' GLU . 51.8 p -93.01 162.91 13.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.362 . . . . 0.0 110.617 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.44 149.64 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.491 ' O ' HG23 ' B' ' 272' ' ' VAL . . . -56.71 -40.93 76.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.512 ' CD ' HH12 ' B' ' 211' ' ' ARG . 0.4 OUTLIER -49.25 -57.67 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -76.42 -44.39 36.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.947 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -53.1 -44.41 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.82 ' O ' HG23 ' B' ' 276' ' ' ILE . 70.4 t -68.52 -27.45 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.84 -29.98 24.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 85.4 m -77.39 -48.41 17.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.947 HG22 ' O ' ' B' ' 271' ' ' ALA . 31.4 m -65.11 -48.74 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.82 HG23 ' O ' ' B' ' 272' ' ' VAL . 2.3 pp -63.83 -21.77 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.565 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.53 -34.27 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.622 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 278' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' B' ' 282' ' ' GLN . 0.3 OUTLIER -72.65 -46.7 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 279' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' B' ' 280' ' ' ALA . 0.1 OUTLIER -74.73 -19.3 60.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 280' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' B' ' 276' ' ' ILE . . . -72.46 -38.09 68.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -87.07 -28.62 22.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.654 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 282' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' B' ' 278' ' ' LYS . 1.3 mm100 -58.29 -48.07 81.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.539 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.79 ' CE1' HD12 ' A' ' 50' ' ' ILE . 2.5 m-30 -66.74 -34.25 77.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 284' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -60.61 -37.1 80.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 285' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -39.32 -24.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.615 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' B' ' 284' ' ' ALA . 4.1 mm? -60.78 163.8 5.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 287' ' ' SER . . . . . 0.451 ' O ' ' C ' ' B' ' 288' ' ' ASP . 15.4 m -100.33 -44.58 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.933 ' HB2' HD22 ' B' ' 291' ' ' LEU . 0.7 OUTLIER -35.69 134.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.676 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.26 -45.61 93.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.527 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 290' ' ' TYR . . . . . 0.501 ' O ' ' HG2' ' B' ' 293' ' ' GLU . 61.2 t80 -56.95 -27.67 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 1.116 HD21 ' O ' ' A' ' 53' ' ' LEU . 2.3 mp -81.31 -63.35 1.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.492 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 292' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -42.28 -42.3 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.466 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 293' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 290' ' ' TYR . 20.6 pt-20 -70.46 -36.0 73.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.58 HH11 HD23 ' B' ' 244' ' ' LEU . 1.9 tpt180 -57.65 -37.34 73.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.09 63.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.348 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -51.64 -44.94 54.66 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.92 -39.44 94.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.387 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.37 -47.95 83.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.338 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -50.64 -42.61 56.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.314 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.677 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -65.05 -36.01 82.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.294 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.728 HD11 ' HG ' ' B' ' 249' ' ' LEU . 9.8 tt -53.15 -44.87 68.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.429 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.17 -38.53 96.66 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -44.27 90.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.346 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 12.0 mtp85 -65.63 -39.16 91.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.383 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 305' ' ' LEU . . . . . 0.495 HD23 HG13 ' B' ' 272' ' ' VAL . 13.5 tp -68.13 -40.16 82.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.409 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.72 -38.49 91.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.43 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -44.38 93.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.405 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.495 ' ND1' ' HB2' ' B' ' 219' ' ' ALA . 28.1 m170 -69.69 -23.8 63.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' B' ' 309' ' ' LEU . 2.1 tp -60.88 -14.17 20.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.455 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.26 117.41 26.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -52.75 -15.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.644 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.68 ' O ' ' C ' ' B' ' 313' ' ' ASN . . . -59.32 -29.65 67.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.533 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.68 ' C ' ' O ' ' B' ' 312' ' ' ALA . 69.1 m-20 6.1 -88.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.541 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 314' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' B' ' 312' ' ' ALA . 2.5 tt0 64.46 -99.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.638 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 117.76 95.22 1.77 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -72.56 -10.72 25.62 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.775 2.317 . . . . 0.0 112.155 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -73.72 79.88 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 318' ' ' ALA . . . . . 0.651 ' O ' ' HD3' ' B' ' 320' ' ' PRO . . . -71.44 116.57 11.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.467 ' C ' ' O ' ' B' ' 318' ' ' ALA . 0.0 OUTLIER -33.43 90.59 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.59 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 0.651 ' HD3' ' O ' ' B' ' 318' ' ' ALA . 49.2 Cg_endo -72.68 179.18 5.45 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.901 2.401 . . . . 0.0 112.042 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.19 -54.89 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.485 HH11 ' HB1' ' B' ' 181' ' ' ALA . 21.9 ttt180 -161.95 146.91 12.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.607 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 3.6 m-85 -159.32 162.68 36.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.471 HG13 ' HB3' ' B' ' 183' ' ' ALA . 87.1 mt -116.54 145.48 22.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 3.2 tp -91.97 130.15 37.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.618 HG22 ' CG1' ' B' ' 347' ' ' VAL . 39.9 t -133.62 94.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.538 ' HB2' ' HB2' ' B' ' 188' ' ' ASP . . . -130.77 152.11 50.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -63.84 -31.58 72.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.523 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -139.24 115.44 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.455 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -82.85 142.2 31.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.479 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 29.3 t -145.67 142.2 28.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.559 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.849 ' N ' ' HB2' ' B' ' 357' ' ' ALA . . . -52.58 -35.81 54.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.677 ' OG1' ' CB ' ' B' ' 300' ' ' ALA . 2.0 t -54.14 -40.24 67.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 334' ' ' THR . . . . . 0.484 ' N ' ' CG2' ' B' ' 333' ' ' THR . 62.7 m -66.56 -52.13 48.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' B' ' 337' ' ' GLU . 65.0 tp -61.53 -43.04 99.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.12 2.16 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' B' ' 335' ' ' LEU . 32.0 tt0 -108.68 -32.72 7.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.548 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.51 126.13 30.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.613 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.73 141.73 15.39 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.755 2.303 . . . . 0.0 112.161 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 340' ' ' GLN . . . . . 0.558 ' CD ' ' H ' ' B' ' 340' ' ' GLN . 21.9 mp0 -73.33 -12.58 60.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -41.61 80.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.29 -24.17 26.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.466 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.5 HD21 ' CG2' ' B' ' 346' ' ' VAL . 6.7 tt -90.94 103.08 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.507 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.504 ' O ' HG12 ' B' ' 344' ' ' VAL . 7.3 t -123.12 27.06 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -178.43 145.27 6.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.5 ' CG2' HD21 ' B' ' 343' ' ' LEU . 58.8 t -141.89 143.07 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.592 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 347' ' ' VAL . . . . . 0.618 ' CG1' HG22 ' B' ' 326' ' ' VAL . 1.9 p -152.61 115.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.682 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.638 HG22 ' H ' ' B' ' 350' ' ' ASP . 8.6 p -110.94 157.57 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.528 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 349' ' ' ARG . . . . . 0.552 ' NH2' ' O ' ' B' ' 374' ' ' ILE . 70.1 mtp85 -74.56 -38.18 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.638 ' H ' HG22 ' B' ' 348' ' ' VAL . 0.1 OUTLIER 174.3 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 23.58 -102.97 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 352' ' ' ALA . . . . . 0.769 ' HB3' ' OG ' ' B' ' 355' ' ' SER . . . -118.25 130.2 55.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.529 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.38 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -132.48 96.01 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 355' ' ' SER . . . . . 0.769 ' OG ' ' HB3' ' B' ' 352' ' ' ALA . 0.8 OUTLIER -115.9 158.78 22.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -53.69 -41.6 67.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.631 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 357' ' ' ALA . . . . . 0.849 ' HB2' ' N ' ' B' ' 332' ' ' ALA . . . -63.75 -43.74 95.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 358' ' ' ALA . . . . . 0.774 ' HB1' HH11 ' B' ' 362' ' ' ARG . . . -55.72 -48.44 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.21 -34.8 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 2.7 mtm -67.32 -44.36 79.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 357' ' ' ALA . 46.4 t -63.61 -44.45 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.774 HH11 ' HB1' ' B' ' 358' ' ' ALA . 2.2 mtm180 -60.14 -44.2 95.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.92 -28.0 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.55 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 364' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' B' ' 364' ' ' LEU . 14.9 mt -68.49 -27.51 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.57 39.36 5.94 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 67.8 mt -121.75 122.13 27.94 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.895 0.379 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.68 134.84 22.09 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.836 2.357 . . . . 0.0 112.019 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 99.4 m -148.38 147.85 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.55 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.65 155.02 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 370' ' ' MET . . . . . 1.047 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 2.0 mtt -136.7 162.59 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.41 62.12 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -63.18 113.73 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -104.42 45.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.651 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 8.4 tp -115.32 142.17 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.666 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -75.06 107.43 3.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 376' ' ' PRO . . . . . 0.651 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 50.9 Cg_exo -48.51 -33.32 23.09 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.954 2.436 . . . . 0.0 112.086 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 88.4 p -47.48 -44.64 25.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 85.5 t -69.89 -32.38 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.506 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.603 ' O ' ' N ' ' B' ' 381' ' ' ARG . 7.6 mp -65.81 -33.08 75.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.4 OUTLIER 27.88 -89.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.603 ' N ' ' O ' ' B' ' 379' ' ' LEU . 96.9 mtt-85 -135.72 20.73 3.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.43 170.58 10.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 383' ' ' THR . . . . . 0.597 ' OG1' ' HB3' ' B' ' 396' ' ' ASP . 0.0 OUTLIER -79.63 128.32 33.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 0.678 HD12 ' O ' ' B' ' 394' ' ' LEU . 23.9 tp -133.09 114.81 14.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 385' ' ' ILE . . . . . 0.492 HG23 ' O ' ' B' ' 385' ' ' ILE . 13.0 tt -107.12 120.75 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 386' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' B' ' 393' ' ' LEU . 22.4 m -108.31 150.06 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 391' ' ' GLY . 52.7 t0 -133.39 88.02 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 388' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -50.26 -44.39 43.77 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -39.38 -51.33 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 110.562 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 390' ' ' ARG . . . . . 0.414 HH21 ' CG ' ' B' ' 390' ' ' ARG . 0.0 OUTLIER -117.33 17.16 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.488 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 38.57 62.0 1.2 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -116.01 142.49 46.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.634 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.586 HD11 HD21 ' B' ' 384' ' ' LEU . 34.3 tp -120.87 124.58 45.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.506 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.678 ' O ' HD12 ' B' ' 384' ' ' LEU . 0.5 OUTLIER -121.25 150.43 41.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.729 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 1.119 ' O ' ' HD3' ' B' ' 397' ' ' PRO . 21.1 m -119.37 118.8 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.61 ' C ' ' O ' ' B' ' 395' ' ' VAL . 8.6 p-10 -21.58 68.73 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.579 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 1.119 ' HD3' ' O ' ' B' ' 395' ' ' VAL . 40.5 Cg_endo -70.38 -147.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.863 2.375 . . . . 0.0 112.084 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 398' ' ' GLU . . . . . 0.76 ' CB ' ' CD ' ' B' ' 399' ' ' PRO . 3.8 mm-40 -98.63 -166.75 0.11 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.529 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 399' ' ' PRO . . . . . 0.76 ' CD ' ' CB ' ' B' ' 398' ' ' GLU . 51.4 Cg_exo -48.51 -22.81 4.58 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.785 2.323 . . . . 0.0 112.098 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 400' ' ' VAL . . . . . 0.646 ' O ' ' N ' ' B' ' 403' ' ' GLN . 4.2 m -52.88 -31.48 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 401' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' B' ' 400' ' ' VAL . 7.3 tt -31.25 -48.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.97 -38.8 79.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.66 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 403' ' ' GLN . . . . . 0.646 ' N ' ' O ' ' B' ' 400' ' ' VAL . 98.1 mm-40 -60.8 -40.08 91.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.529 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 404' ' ' GLU . . . . . 0.401 ' CD ' HH22 ' B' ' 407' ' ' ARG . 80.1 mm-40 -64.12 -47.28 80.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.13 -38.74 92.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.33 -40.36 74.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.401 HH22 ' CD ' ' B' ' 404' ' ' GLU . 1.2 mtm105 -63.32 -36.21 82.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.519 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' B' ' 412' ' ' GLU . 29.6 mt -71.88 -41.6 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.542 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 4.7 mm -50.27 -37.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.618 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 60.2 p -87.59 -16.09 35.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -119.24 16.78 13.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.586 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 0.705 ' N ' ' O ' ' B' ' 408' ' ' LEU . 3.0 tt0 -113.72 -108.36 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 1.017 HG22 ' H ' ' B' ' 414' ' ' GLU . 95.9 mt -103.58 -125.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 1.017 ' H ' HG22 ' B' ' 413' ' ' ILE . 0.1 OUTLIER -167.08 73.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.644 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 9.2 mt -79.06 -30.02 43.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' B' ' 417' ' ' ARG . 3.7 t -110.33 -95.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 417' ' ' ARG . . . . . 0.506 HH21 ' HB2' ' B' ' 418' ' ' LEU . 0.0 OUTLIER -146.86 -41.75 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.456 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 418' ' ' LEU . . . . . 0.719 ' O ' ' HB2' ' B' ' 419' ' ' ALA . 51.2 tp -180.0 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 419' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' B' ' 418' ' ' LEU . . . 158.48 51.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 420' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' B' ' 421' ' ' ASP . 98.1 mt-10 46.22 -93.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 421' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' B' ' 419' ' ' ALA . 8.8 t0 38.94 -157.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.59 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.414 ' H ' ' CG ' ' B' ' 421' ' ' ASP . 93.9 m-20 48.93 22.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.507 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.2 -30.04 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.541 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.4 p -83.31 158.2 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.3 t -132.14 117.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -124.56 172.72 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.567 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.567 ' O ' HG22 ' A' ' 65' ' ' VAL . 5.5 tt0 -162.39 132.74 4.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -78.45 129.92 35.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.714 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.638 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 27.9 m -130.87 123.8 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -80.64 126.45 31.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.8 mm -89.12 104.87 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.472 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.866 HG22 ' O ' ' A' ' 10' ' ' THR . 20.8 m -82.62 57.13 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 10' ' ' THR . 80.4 m-20 62.63 23.87 14.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -164.79 99.57 0.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -5.12 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 19' ' ' PRO . . . 120.28 138.03 5.53 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.648 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 4.2 tpp 41.46 -142.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.583 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 7.9 t-160 -128.26 76.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 73.28 -20.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 3.7 mpt_? -47.92 -50.67 52.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.594 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 15' ' ' MET . 50.1 Cg_exo -48.56 -51.56 10.07 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.832 2.355 . . . . 0.0 112.102 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.13 91.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 21' ' ' MET . 1.8 tmt? -66.06 -41.49 90.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -37.56 87.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.549 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 23' ' ' LEU . 10.6 tp -49.37 -45.88 46.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.593 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CD1' ' CE1' ' B' ' 247' ' ' HIS . 0.3 OUTLIER -57.43 -39.06 75.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.622 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -74.36 -33.98 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.374 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.606 HD12 ' CE1' ' A' ' 30' ' ' PHE . 3.4 mm? -68.08 -42.53 80.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.594 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.446 ' HG2' HG22 ' A' ' 34' ' ' VAL . 53.6 mtp -56.04 -34.03 65.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -79.16 -33.35 44.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.587 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.87 -30.16 39.87 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CE1' HD12 ' A' ' 26' ' ' LEU . 18.3 m-30 -107.82 151.26 25.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.638 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 65.8 t0 -95.06 96.71 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 165.34 154.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.529 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -99.57 129.55 45.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.994 ' C ' HD22 ' A' ' 35' ' ' LEU . 35.5 m -106.99 132.21 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.496 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.994 HD22 ' C ' ' A' ' 34' ' ' VAL . 1.7 mm? -133.42 138.59 46.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.18 150.87 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.821 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.39 134.12 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.464 ' ND2' ' HB2' ' A' ' 58' ' ' ALA . 14.8 t-20 -90.4 156.94 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.461 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -53.4 -28.06 27.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -67.36 -11.17 57.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.67 11.5 59.17 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.9 p -84.34 117.21 23.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -78.13 102.97 7.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.558 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.654 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.07 65.54 7.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -40.91 121.17 1.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.624 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.42 -10.79 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -99.8 29.8 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.44 122.49 10.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.574 HG23 HD11 ' B' ' 248' ' ' LEU . 14.4 p -62.58 -36.01 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 51' ' ' ALA . 30.1 pt -61.15 -38.19 79.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.626 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.654 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -64.81 -42.57 94.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.625 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 52' ' ' LEU . 85.4 mt -58.35 -37.91 76.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.565 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' B' ' 283' ' ' PHE . 92.7 mt -65.66 -36.76 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.8 mtp -67.44 -37.55 83.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.622 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.7 tp -61.96 -36.42 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.25 -34.94 48.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.678 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.5 m -76.86 -6.06 50.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.696 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . . . -83.63 29.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.514 ' H ' ' HG2' ' A' ' 59' ' ' LYS . 1.8 ptmt -69.16 97.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.638 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.78 5.37 38.86 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.14 164.46 11.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.37 144.07 27.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.821 HG23 ' O ' ' A' ' 37' ' ' ARG . 3.0 mt -131.16 161.73 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.573 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 33.9 tp10 -124.25 100.18 6.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 5' ' ' GLN . 24.0 m -80.33 128.44 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.601 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -120.82 138.35 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.622 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.16 130.7 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.639 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.457 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 8.7 t -123.72 128.78 50.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.467 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.471 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.63 161.26 8.71 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.429 ' O ' ' OE2' ' A' ' 73' ' ' GLU . 53.8 Cg_exo -46.99 -44.67 22.54 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.83 2.353 . . . . 0.0 112.094 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.516 ' CD ' ' H ' ' A' ' 31' ' ' ASP . 29.3 mt-30 -94.53 7.27 46.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.569 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 19.7 pt-20 -38.31 -38.17 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.594 ' HG2' ' H ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -63.68 -48.96 75.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.564 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.594 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 19.8 mt-10 -57.63 -50.63 72.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.51 77.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.1 -44.15 89.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.613 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.43 99.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.483 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.493 ' O ' HD13 ' A' ' 82' ' ' LEU . . . -60.94 -43.68 98.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 23' ' ' LEU . 78.9 t -66.81 -42.07 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.497 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.476 HD11 HG21 ' A' ' 65' ' ' VAL . 1.1 mp -64.7 -41.43 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.22 -35.69 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 78' ' ' ALA . 5.4 mp -73.53 -38.64 65.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.412 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.691 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.59 -23.44 60.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.57 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -90.77 -1.47 57.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.571 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 170' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' B' ' 393' ' ' LEU . 7.4 ptm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 36.6 mm -98.48 124.71 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -81.21 109.49 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.464 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -112.19 157.04 21.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.559 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.86 118.89 65.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -72.73 111.0 3.14 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.826 2.35 . . . . 0.0 112.147 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -95.82 -53.03 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -120.65 108.94 36.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.5 166.06 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.774 2.316 . . . . 0.0 112.161 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 179' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 106.37 176.9 23.4 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 180' ' ' VAL . . . . . 0.405 HG22 ' N ' ' B' ' 181' ' ' ALA . 2.9 p -134.18 153.62 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.575 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 181' ' ' ALA . . . . . 0.405 ' N ' HG22 ' B' ' 180' ' ' VAL . . . -149.76 147.27 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 182' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 6.4 mt -129.94 124.09 57.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.433 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 178.16 176.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 184' ' ' GLU . . . . . 0.55 ' HB2' ' CE2' ' B' ' 323' ' ' PHE . 98.9 mt-10 -79.07 168.18 20.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.451 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -99.93 116.01 5.46 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 186' ' ' TRP . . . . . 0.467 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 4.6 t-105 -103.98 140.78 37.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.716 0.293 . . . . 0.0 110.535 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 187' ' ' GLN . . . . . 0.489 ' CD ' ' H ' ' B' ' 187' ' ' GLN . 2.9 pm0 -103.79 136.98 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -61.46 155.88 20.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.602 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -79.13 49.47 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.592 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.93 112.71 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.431 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 191' ' ' LEU . . . . . 0.557 HD12 ' N ' ' B' ' 191' ' ' LEU . 10.8 mp -95.78 149.08 35.56 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' B' ' 194' ' ' MET . 52.8 Cg_exo -47.65 82.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.824 2.349 . . . . 0.0 112.136 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.961 ' H ' HD13 ' B' ' 193' ' ' LEU . 0.0 OUTLIER -59.11 -4.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.592 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 194' ' ' MET . . . . . 0.714 ' O ' HG12 ' B' ' 197' ' ' VAL . 9.5 ttm -89.76 -55.11 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.547 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 195' ' ' GLU . . . . . 0.551 ' C ' ' H ' ' B' ' 197' ' ' VAL . 51.5 mp0 -74.24 -13.27 60.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -71.17 30.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.714 HG12 ' O ' ' B' ' 194' ' ' MET . 6.8 p -128.9 117.62 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.516 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -131.6 154.96 48.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 199' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 200' ' ' ALA . 4.5 mt-30 -80.71 150.22 29.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.589 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 200' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' B' ' 199' ' ' GLN . . . 177.43 119.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.622 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 5.1 p -113.69 111.28 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.53 94.64 0.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.647 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 0.409 HD11 ' HA2' ' B' ' 265' ' ' GLY . 10.5 mp -51.71 128.62 24.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.591 ' OD1' ' OE2' ' B' ' 208' ' ' GLU . 23.6 p-10 -156.63 55.11 0.98 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.624 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' B' ' 209' ' ' ARG . 53.9 Cg_exo -47.23 -64.82 0.21 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.871 2.381 . . . . 0.0 112.068 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -40.47 -47.73 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.54 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 207' ' ' LEU . . . . . 0.735 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 3.2 tp -76.33 -39.7 53.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.489 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.633 ' HG3' ' HB2' ' B' ' 268' ' ' ALA . 1.4 tp10 -69.35 -63.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.487 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 209' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' B' ' 205' ' ' PRO . 0.1 OUTLIER -44.12 -52.07 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.93 -37.69 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.427 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.735 ' HB2' ' O ' ' B' ' 207' ' ' LEU . 1.9 ttt-85 -57.53 -48.37 79.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.488 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.487 HD21 ' HB1' ' B' ' 268' ' ' ALA . 71.4 mt -62.61 -52.95 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.466 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 40.5 p -54.74 -47.96 73.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.385 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.97 95.53 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 215' ' ' ALA . . . . . 0.55 ' CB ' HD22 ' B' ' 309' ' ' LEU . . . -70.86 -43.36 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.415 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' B' ' 220' ' ' ALA . 31.0 mt -59.66 -49.1 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.417 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 0.2 OUTLIER -49.42 -34.04 15.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.418 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 218' ' ' GLU . . . . . 0.511 ' CD ' ' HD1' ' B' ' 308' ' ' HIS . 32.4 tt0 -78.34 -33.98 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.366 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -87.5 -49.48 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.371 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.621 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.58 -51.99 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.486 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 8.7 m120 -62.91 -34.16 76.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.4 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 222' ' ' GLU . . . . . 0.476 ' OE1' ' NH1' ' B' ' 304' ' ' ARG . 25.6 tt0 -68.54 -34.25 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.483 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.38 -45.22 88.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.411 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.92 -38.56 91.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 15.4 ttm105 -67.12 -31.05 71.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.509 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 226' ' ' TYR . . . . . 0.779 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 2.5 m-85 -64.68 -60.86 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.79 -47.53 30.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.526 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -58.08 -37.49 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.519 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 229' ' ' ARG . . . . . 0.431 HH12 ' HA ' ' B' ' 339' ' ' PRO . 3.1 mtp180 -68.09 -42.4 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.521 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.716 ' CD2' HG21 ' B' ' 238' ' ' THR . 19.2 m-85 -67.62 -45.33 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -54.73 -26.77 36.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.53 -22.38 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 233' ' ' GLY . . . . . 0.602 ' O ' ' C ' ' B' ' 234' ' ' ALA . . . -164.06 -113.93 0.3 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.602 ' C ' ' O ' ' B' ' 233' ' ' GLY . . . 21.63 -139.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.482 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.449 ' NE2' ' OE1' ' B' ' 237' ' ' GLU . 0.1 OUTLIER -111.62 154.79 24.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -71.15 -19.83 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.502 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.449 ' OE1' ' NE2' ' B' ' 235' ' ' GLN . 5.2 tm-20 -62.05 -44.86 95.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.634 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.716 HG21 ' CD2' ' B' ' 230' ' ' PHE . 4.1 m -58.42 -53.81 54.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.505 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -51.3 -44.28 61.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.479 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . . . -62.34 -30.49 71.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.598 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.473 ' HA ' HD13 ' B' ' 241' ' ' ILE . 9.9 mm -70.99 -65.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.501 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 242' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.72 -58.21 8.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -45.45 -39.5 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 244' ' ' LEU . . . . . 1.066 ' C ' HD13 ' B' ' 244' ' ' LEU . 0.4 OUTLIER -71.83 -37.24 70.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.789 ' N ' HD13 ' B' ' 244' ' ' LEU . 0.3 OUTLIER -72.72 -34.52 67.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 52.8 p -48.36 -53.63 16.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.68 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.532 ' C ' ' ND1' ' B' ' 247' ' ' HIS . 0.1 OUTLIER -75.39 -34.47 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.52 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 0.5 OUTLIER -63.29 -43.2 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.87 HD12 HD11 ' B' ' 301' ' ' LEU . 0.3 OUTLIER -72.35 -43.19 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 250' ' ' SER . . . . . 0.835 ' N ' HD23 ' B' ' 249' ' ' LEU . 87.9 p -68.79 -11.6 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.827 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 49.4 p30 -45.86 127.35 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 252' ' ' THR . . . . . 0.477 ' O ' ' CG ' ' B' ' 256' ' ' ARG . 4.3 t -58.62 1.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.662 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.549 ' H ' ' C ' ' B' ' 251' ' ' ASP . 30.6 ttp-105 -85.21 -49.15 8.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 6.4 tp -71.79 -46.48 58.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.429 HH21 ' HD3' ' B' ' 255' ' ' ARG . 30.8 ttp-105 -59.27 -55.51 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 256' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' B' ' 252' ' ' THR . 22.4 mmt85 -56.52 -40.79 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 257' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 20.4 mm-40 -54.5 -46.0 73.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.594 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.503 HD12 HG11 ' B' ' 275' ' ' VAL . 7.2 mp -57.75 -58.65 7.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.654 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 259' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' B' ' 259' ' ' PHE . 0.0 OUTLIER -55.94 -30.96 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.695 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 260' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -59.29 -42.42 91.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.73 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 261' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' B' ' 264' ' ' LYS . 4.6 tp10 -64.46 -38.13 89.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.613 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 262' ' ' VAL . . . . . 0.467 HG21 ' HG2' ' B' ' 208' ' ' GLU . 62.0 t -66.73 -37.14 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.598 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -13.77 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 264' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' B' ' 261' ' ' GLU . 0.0 OUTLIER -92.31 -18.03 23.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.623 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 265' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' B' ' 264' ' ' LYS . . . 121.6 18.51 3.64 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 54.0 m -102.73 166.49 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 110.485 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 267' ' ' VAL . . . . . 0.476 HG23 ' H ' ' B' ' 270' ' ' TRP . 31.7 m -104.38 154.96 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.633 ' HB2' ' HG3' ' B' ' 208' ' ' GLU . . . -57.04 -45.87 82.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.56 -64.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 270' ' ' TRP . . . . . 0.476 ' H ' HG23 ' B' ' 267' ' ' VAL . 5.7 t90 -68.14 -44.11 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -50.77 -47.94 59.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.732 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.529 HG13 HD23 ' B' ' 305' ' ' LEU . 71.2 t -59.26 -41.76 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' B' ' 193' ' ' LEU . 6.1 tttt -77.07 -46.08 24.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.69 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 274' ' ' THR . . . . . 0.453 ' O ' ' N ' ' B' ' 278' ' ' LYS . 93.0 m -58.2 -56.21 24.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.681 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 271' ' ' ALA . 85.5 t -50.75 -55.82 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.438 HD13 ' O ' ' B' ' 272' ' ' VAL . 1.2 mp -55.26 -38.7 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.656 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' B' ' 281' ' ' GLU . 1.0 OUTLIER -75.99 -33.91 59.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.574 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 278' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' B' ' 274' ' ' THR . 12.5 ttpt -72.86 -32.17 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.625 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 279' ' ' PHE . . . . . 0.526 ' O ' ' HD2' ' B' ' 283' ' ' PHE . 0.5 OUTLIER -87.2 -15.82 37.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 280' ' ' ALA . . . . . 0.844 ' O ' ' HB2' ' B' ' 284' ' ' ALA . . . -76.37 -39.12 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.502 ' HA ' ' HB3' ' B' ' 284' ' ' ALA . 3.5 mm-40 -85.46 -30.11 23.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -59.7 -49.81 76.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.592 ' CD1' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -87.28 -28.65 22.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 284' ' ' ALA . . . . . 0.844 ' HB2' ' O ' ' B' ' 280' ' ' ALA . . . -61.79 -14.53 33.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -72.16 -11.32 60.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.684 ' CB ' HD22 ' B' ' 291' ' ' LEU . 3.6 mm? -73.68 173.94 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 61.0 m -112.68 -26.5 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.698 ' O ' HD23 ' B' ' 291' ' ' LEU . 0.1 OUTLIER -42.18 128.67 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.594 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 289' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' B' ' 290' ' ' TYR . 17.3 p-10 -57.61 -49.79 75.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.516 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 290' ' ' TYR . . . . . 0.653 ' O ' ' HG3' ' B' ' 293' ' ' GLU . 43.5 t80 -47.48 -25.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.831 ' HG ' ' N ' ' B' ' 292' ' ' LYS . 0.5 OUTLIER -75.68 -45.46 36.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.831 ' N ' ' HG ' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -49.82 -45.69 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.533 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 293' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -72.22 -27.96 62.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.391 179.81 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.597 ' NH1' ' OH ' ' B' ' 290' ' ' TYR . 8.7 tpp180 -61.72 -42.61 99.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.484 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -52.78 -49.4 65.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.454 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -50.77 -44.39 48.46 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.517 ' HB3' ' CE1' ' B' ' 245' ' ' TYR . 7.8 m-20 -67.26 -42.59 83.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.33 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -51.25 70.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.298 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -53.5 -43.65 68.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.332 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 300' ' ' ALA . . . . . 0.499 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -64.04 -39.7 94.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.255 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.87 HD11 HD12 ' B' ' 249' ' ' LEU . 5.3 tt -58.71 -42.83 89.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.374 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -64.37 -42.65 97.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -58.79 -40.67 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.311 . . . . 0.0 110.296 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.476 ' NH1' ' OE1' ' B' ' 222' ' ' GLU . 10.5 mtp180 -75.27 -40.67 58.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.408 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 305' ' ' LEU . . . . . 0.529 HD23 HG13 ' B' ' 272' ' ' VAL . 3.3 tp -63.54 -41.71 98.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.415 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 306' ' ' LEU . . . . . 0.401 ' O ' HD23 ' B' ' 306' ' ' LEU . 6.9 tt -69.71 -34.77 74.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.322 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 307' ' ' PHE . . . . . 0.737 ' CE1' ' ND2' ' B' ' 313' ' ' ASN . 46.6 t80 -66.98 -40.49 87.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.466 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.511 ' HD1' ' CD ' ' B' ' 218' ' ' GLU . 55.3 m-70 -72.58 -24.51 61.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.55 HD22 ' CB ' ' B' ' 215' ' ' ALA . 0.5 OUTLIER -69.76 -7.85 43.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -139.4 73.64 1.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.12 -13.88 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' B' ' 313' ' ' ASN . . . -58.17 -32.0 67.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.526 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 313' ' ' ASN . . . . . 0.737 ' ND2' ' CE1' ' B' ' 307' ' ' PHE . 23.6 p30 -56.59 -121.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.55 89.96 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 315' ' ' GLY . . . . . 0.489 ' N ' ' HD2' ' B' ' 316' ' ' PRO . . . -56.75 -57.93 17.07 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 316' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' B' ' 315' ' ' GLY . 50.3 Cg_endo -72.66 140.38 32.47 Favored 'Trans proline' 0 C--N 1.303 -1.858 0 C-N-CA 122.872 2.381 . . . . 0.0 112.076 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 317' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' B' ' 319' ' ' TRP . 23.0 m120 -114.11 29.03 8.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 318' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' B' ' 317' ' ' ASN . . . -36.33 97.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.618 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' B' ' 317' ' ' ASN . 86.8 m95 -80.49 147.35 63.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.68 173.08 13.94 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.878 2.385 . . . . 0.0 112.175 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 8.4 pm0 -80.14 -26.34 39.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.4 OUTLIER -155.17 149.7 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.582 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 0.2 OUTLIER 172.52 166.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.559 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.433 HG13 ' HB3' ' B' ' 183' ' ' ALA . 70.3 mt -116.18 137.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 56.0 tp -78.71 121.26 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.6 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.43 HG11 HD12 ' B' ' 379' ' ' LEU . 60.5 t -117.41 113.67 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.621 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -151.17 156.94 41.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -68.42 -21.77 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -155.4 157.8 37.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.607 HD12 ' H ' ' B' ' 330' ' ' LEU . 0.3 OUTLIER -93.53 127.33 39.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 331' ' ' SER . . . . . 0.498 ' OG ' ' OG1' ' B' ' 334' ' ' THR . 0.3 OUTLIER -126.8 131.25 51.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.55 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.62 82.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' B' ' 300' ' ' ALA . 14.2 p -64.95 -36.04 83.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 334' ' ' THR . . . . . 0.498 ' OG1' ' OG ' ' B' ' 331' ' ' SER . 98.2 m -67.25 -53.67 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' B' ' 337' ' ' GLU . 2.6 tt -55.45 -29.26 58.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 336' ' ' ALA . . . . . 0.779 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -75.06 12.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' B' ' 335' ' ' LEU . 94.6 mt-10 -100.72 -31.14 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.61 145.88 34.78 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 339' ' ' PRO . . . . . 0.431 ' HA ' HH12 ' B' ' 229' ' ' ARG . 50.7 Cg_endo -72.73 157.1 52.58 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.748 2.299 . . . . 0.0 112.196 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -71.97 -20.64 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.71 -45.93 91.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.45 ' O ' HG23 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -82.59 -23.5 34.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.694 HD23 ' H ' ' B' ' 345' ' ' GLY . 2.1 tt -75.32 103.01 5.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 342' ' ' ARG . 1.4 t -121.61 20.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 345' ' ' GLY . . . . . 0.694 ' H ' HD23 ' B' ' 343' ' ' LEU . . . 162.48 161.59 12.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 25.4 t -145.55 150.77 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.576 0.227 . . . . 0.0 110.642 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 92.4 t -144.13 118.17 3.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.533 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.621 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 0.2 OUTLIER -117.48 151.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.605 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.5 -39.12 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' B' ' 351' ' ' GLY . 16.6 t70 -147.9 -91.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 351' ' ' GLY . . . . . 0.503 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 54.3 154.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -77.35 132.8 38.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.62 -13.58 59.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -98.95 3.83 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 79.3 p -70.35 155.11 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 356' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 18.9 pt20 -56.83 -42.21 79.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.489 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 357' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' B' ' 356' ' ' GLN . . . -62.08 -45.3 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.448 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.2 93.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.617 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 47.6 mm -74.17 -30.59 27.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 39.2 ttm -60.94 -48.25 82.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.495 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.448 HG12 ' N ' ' B' ' 362' ' ' ARG . 1.0 OUTLIER -67.36 -47.62 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.448 ' N ' HG12 ' B' ' 361' ' ' VAL . 8.0 ttp180 -58.14 -46.32 85.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.24 -22.92 64.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 364' ' ' LEU . . . . . 0.468 HD23 HG13 ' B' ' 366' ' ' ILE . 20.9 tp -75.24 -30.53 60.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.46 38.69 6.17 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 366' ' ' ILE . . . . . 0.468 HG13 HD23 ' B' ' 364' ' ' LEU . 42.2 mm -116.72 124.35 29.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.389 . . . . 0.0 110.521 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.44 132.96 20.28 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.902 2.402 . . . . 0.0 112.055 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 58.7 m -157.68 142.57 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.2 150.63 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.737 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 1.6 mtt -126.89 165.4 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.531 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.46 -6.79 61.32 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -55.5 111.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -93.75 35.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 38.0 mm -113.74 128.12 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.557 ' H ' ' CD ' ' B' ' 375' ' ' GLN . 9.4 pm0 -66.33 150.84 96.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.68 -20.0 23.58 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.773 2.315 . . . . 0.0 112.064 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 78.0 p -62.07 -41.29 98.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 74.7 t -74.54 -34.68 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.533 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.733 ' O ' ' N ' ' B' ' 381' ' ' ARG . 66.6 mt -68.16 -31.65 71.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.592 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER 23.45 -81.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.733 ' N ' ' O ' ' B' ' 379' ' ' LEU . 17.2 ptp180 -147.03 22.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 382' ' ' ARG . . . . . 0.479 ' NH2' ' OD2' ' B' ' 396' ' ' ASP . 1.7 ttt180 -68.32 174.5 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 88.2 m -79.36 123.48 27.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.92 115.61 24.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 80.1 mt -107.3 100.54 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.656 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.8 145.19 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.441 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.725 ' O ' ' N ' ' B' ' 391' ' ' GLY . 54.5 t0 -129.74 83.94 2.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.618 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 388' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -45.23 -45.27 10.43 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -54.5 42.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -90.57 -1.53 57.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.725 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 43.78 55.31 5.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 392' ' ' GLU . . . . . 0.564 ' O ' HD23 ' B' ' 393' ' ' LEU . 20.8 mt-10 -129.49 157.21 42.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' B' ' 173' ' ' ALA . 2.4 mt -127.48 128.77 46.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 10.2 mt -123.88 144.75 49.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.56 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.628 ' O ' ' C ' ' B' ' 396' ' ' ASP . 7.0 p -116.32 124.02 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.628 ' C ' ' O ' ' B' ' 395' ' ' VAL . 12.6 p30 15.93 62.4 0.16 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.534 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' B' ' 395' ' ' VAL . 50.6 Cg_endo -72.85 170.7 19.01 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.948 2.432 . . . . 0.0 112.102 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -48.28 150.32 2.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.509 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.72 -29.7 15.45 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.775 2.317 . . . . 0.0 112.091 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 400' ' ' VAL . . . . . 0.572 HG13 ' N ' ' B' ' 401' ' ' LEU . 8.5 p -73.61 -44.23 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.506 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 401' ' ' LEU . . . . . 0.572 ' N ' HG13 ' B' ' 400' ' ' VAL . 1.7 mm? -49.91 -51.42 40.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.54 -30.16 68.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.643 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -57.0 -61.56 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.439 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.53 -35.45 80.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -45.13 -42.04 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 406' ' ' GLN . . . . . 0.47 ' O ' HG22 ' B' ' 409' ' ' ILE . 11.6 tp60 -73.19 -31.25 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.688 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -74.26 -38.91 63.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.606 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.59 -38.93 88.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.542 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 409' ' ' ILE . . . . . 0.47 HG22 ' O ' ' B' ' 406' ' ' GLN . 1.8 tp -67.16 -31.79 54.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 6.2 p -88.87 -19.82 25.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -43.65 -69.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' B' ' 412' ' ' GLU . 5.5 pt-20 -178.42 30.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 0.582 ' O ' ' OG ' ' B' ' 416' ' ' SER . 1.7 mp -106.4 -80.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 414' ' ' GLU . . . . . 0.581 ' N ' HG22 ' B' ' 413' ' ' ILE . 75.3 tt0 25.7 -113.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.46 -38.44 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.582 ' OG ' ' O ' ' B' ' 413' ' ' ILE . 86.7 p -42.46 -52.27 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -119.74 18.61 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 418' ' ' LEU . . . . . 0.409 ' CA ' ' O ' ' B' ' 414' ' ' GLU . 16.6 mt 53.6 -98.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -155.78 -163.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 420' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' B' ' 422' ' ' ASP . 14.3 tt0 74.09 -145.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 61.72 -67.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.598 ' O ' ' O ' ' B' ' 423' ' ' VAL . 86.0 m-20 56.84 -169.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.542 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 423' ' ' VAL . . . . . 0.598 ' O ' ' O ' ' B' ' 422' ' ' ASP . 73.2 t 45.08 108.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.593 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.651 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ptp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -82.15 160.3 23.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -134.28 116.63 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.555 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -122.56 172.46 8.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.698 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -161.52 132.8 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -80.36 128.8 33.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.637 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 7' ' ' VAL . 9.5 p -130.13 125.58 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.409 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -81.73 125.57 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.916 HG12 HD11 ' A' ' 63' ' ' ILE . 23.3 mm -89.16 104.26 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.2 p -82.3 54.43 2.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 65.35 22.29 12.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 14' ' ' GLY . 10.9 tttt -161.27 97.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.643 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -62.14 -2.84 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 179.829 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.708 ' C ' ' SD ' ' A' ' 15' ' ' MET . . . 161.96 -35.98 0.37 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.991 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 173.61 -128.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.789 0.328 . . . . 0.0 110.557 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.693 ' N ' ' HG2' ' A' ' 15' ' ' MET . 83.1 t60 -88.95 -48.33 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 172.58 101.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 1.014 ' H ' ' CD ' ' A' ' 19' ' ' PRO . 1.2 ttt85 -167.53 -32.29 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.014 ' CD ' ' H ' ' A' ' 18' ' ' ARG . 35.1 Cg_endo -67.78 -41.38 8.16 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.789 2.326 . . . . 0.0 112.066 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -68.85 -39.89 79.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.2 ttp -72.64 -39.56 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.514 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 13.7 tptt -63.42 -36.96 85.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.559 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.847 HD22 HG21 ' A' ' 34' ' ' VAL . 1.5 mt -50.13 -44.85 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.654 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -56.95 -38.7 73.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -74.2 -34.11 63.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.526 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.66 -40.91 79.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ttm -56.61 -32.09 64.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.655 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -81.29 -35.31 31.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.19 -30.67 45.27 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.537 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 29.4 m-85 -106.85 149.46 27.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.588 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.755 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 2.0 m-20 -93.82 96.64 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 165.74 154.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.53 130.15 45.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.864 ' O ' HD12 ' A' ' 35' ' ' LEU . 28.8 m -107.57 132.67 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.864 HD12 ' O ' ' A' ' 34' ' ' VAL . 3.4 mp -134.49 137.75 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 36' ' ' LEU . 6.6 mp -108.4 151.25 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.642 ' O ' HG22 ' A' ' 63' ' ' ILE . 25.3 ttm-85 -148.51 134.01 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.652 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.569 ' HA ' ' CG2' ' A' ' 63' ' ' ILE . 57.5 m-80 -89.86 156.85 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 64.0 t0 -53.46 -27.99 27.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -67.6 -10.37 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.94 11.65 59.98 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.6 m -84.58 116.98 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -77.78 103.5 7.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.652 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.78 65.56 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.49 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -40.85 121.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -9.28 10.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.578 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -100.4 27.36 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.532 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.76 122.76 11.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.544 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.706 ' O ' HD13 ' A' ' 53' ' ' LEU . 75.3 t -62.37 -36.18 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.47 HG22 ' HE1' ' B' ' 283' ' ' PHE . 17.2 pt -60.7 -38.3 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.652 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -64.62 -43.21 94.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.506 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.413 HD22 ' HB1' ' A' ' 20' ' ' ALA . 97.3 mt -58.09 -38.12 75.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 49' ' ' VAL . 11.0 mp -65.14 -36.62 84.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.592 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.5 mtt -67.5 -38.89 85.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 55' ' ' LEU . 1.7 tt -60.53 -36.12 77.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.647 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -52.3 -34.86 48.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.583 ' HB3' ' OD2' ' B' ' 288' ' ' ASP . 0.1 OUTLIER -76.82 -7.03 54.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.73 29.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.574 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 15.0 pttt -69.27 96.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.74 5.16 39.21 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.693 ' NH2' ' H ' ' A' ' 62' ' ' GLN . 0.4 OUTLIER -105.66 165.4 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.562 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.894 ' C ' HD13 ' A' ' 63' ' ' ILE . 1.7 tm0? -98.2 142.96 29.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.52 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.916 HD11 HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -129.32 163.06 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.586 ' OE1' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -125.74 99.5 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.513 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.598 HG11 HG21 ' A' ' 79' ' ' VAL . 21.5 t -79.89 129.47 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -122.13 140.39 52.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.48 131.5 27.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.685 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.7 t -121.91 141.81 50.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.92 -176.42 19.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.755 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -73.58 -36.22 4.03 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.802 2.335 . . . . 0.0 112.147 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.558 ' OE1' ' N ' ' A' ' 31' ' ' ASP . 91.8 mt-30 -99.29 4.55 46.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.573 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 71' ' ' GLN . 16.9 pt-20 -36.85 -42.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -58.32 -48.91 79.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' GLN . 25.9 mm-40 -59.11 -49.67 76.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.661 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.981 ' O ' HG13 ' A' ' 79' ' ' VAL . . . -58.39 -48.4 80.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.947 ' O ' HG22 ' A' ' 79' ' ' VAL . 2.7 tt -65.05 -43.71 91.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.14 99.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.544 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.01 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.981 HG13 ' O ' ' A' ' 75' ' ' ALA . 2.9 m -66.28 -42.09 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.493 ' N ' HG23 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -65.36 -40.96 90.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.55 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.425 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.67 -37.36 87.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -71.81 -38.39 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.5 m-85 -69.45 -31.51 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.612 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -83.03 -3.75 57.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 171' ' ' ILE . . . . . 0.516 HD13 ' OD1' ' B' ' 373' ' ' ASP . 85.6 mt -132.35 139.18 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 172' ' ' ARG . . . . . 0.673 ' H ' ' HD3' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -87.72 117.51 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 173' ' ' ALA . . . . . 0.953 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -115.19 156.8 24.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 174' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' B' ' 370' ' ' MET . 1.0 OUTLIER -71.91 114.9 32.85 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -72.54 116.06 4.57 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.802 2.335 . . . . 0.0 112.13 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -93.39 -27.69 16.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.484 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -153.08 109.93 2.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.42 152.14 2.6 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.902 2.401 . . . . 0.0 112.124 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 132.28 162.65 10.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.14 149.01 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -151.47 146.65 26.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 5.4 mt -123.63 122.12 64.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 183' ' ' ALA . . . . . 0.641 ' O ' HD13 ' B' ' 384' ' ' LEU . . . -169.3 -171.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.571 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 184' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' B' ' 382' ' ' ARG . 15.5 mt-10 -100.59 159.12 15.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 185' ' ' GLY . . . . . 0.535 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -87.44 126.62 8.08 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 186' ' ' TRP . . . . . 0.421 ' O ' HG12 ' B' ' 326' ' ' VAL . 63.7 t-105 -142.58 148.31 37.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 110.557 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -108.58 139.19 43.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.543 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -51.58 169.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -79.75 17.98 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.466 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 79.6 m -84.97 114.87 22.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 191' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' B' ' 193' ' ' LEU . 17.2 mt -138.28 142.8 36.46 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.487 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.682 ' C ' HD22 ' B' ' 193' ' ' LEU . 54.3 Cg_exo -47.12 145.67 7.32 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.88 2.387 . . . . 0.0 112.163 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 193' ' ' LEU . . . . . 0.682 HD22 ' C ' ' B' ' 192' ' ' PRO . 4.4 mm? -111.72 12.04 21.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.64 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 194' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' B' ' 194' ' ' MET . 0.3 OUTLIER -73.51 -44.39 57.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.566 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 195' ' ' GLU . . . . . 0.553 ' CD ' ' N ' ' B' ' 196' ' ' GLN . 0.1 OUTLIER -81.23 -23.56 37.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.592 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 196' ' ' GLN . . . . . 0.553 ' N ' ' CD ' ' B' ' 195' ' ' GLU . 20.7 tt0 -66.39 -30.92 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.598 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 197' ' ' VAL . . . . . 0.448 ' CG1' ' HE1' ' B' ' 270' ' ' TRP . 7.2 t -68.65 135.64 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -120.75 -175.67 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -90.44 128.64 36.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 200' ' ' ALA . . . . . 0.602 ' O ' ' CH2' ' B' ' 270' ' ' TRP . . . 179.29 124.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 1.2 m -121.47 93.13 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 22.1 m -143.35 103.04 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.535 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 0.573 ' H ' HD23 ' B' ' 203' ' ' LEU . 2.0 pt? -85.06 139.19 31.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.515 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.64 ' OD1' ' HG2' ' B' ' 208' ' ' GLU . 0.1 OUTLIER -158.4 84.52 2.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.08 -29.59 12.61 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.838 2.358 . . . . 0.0 112.141 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -70.23 -43.57 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.564 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 207' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 5.3 mt -94.83 -33.12 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.462 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 208' ' ' GLU . . . . . 0.73 ' OE1' ' N ' ' B' ' 268' ' ' ALA . 8.8 mm-40 -65.23 -58.84 4.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.516 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.24 -46.55 79.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -68.6 -38.49 80.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 211' ' ' ARG . . . . . 0.599 ' NH2' ' HB3' ' B' ' 268' ' ' ALA . 0.1 OUTLIER -52.16 -50.18 62.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.513 HD21 ' CG2' ' B' ' 272' ' ' VAL . 0.6 OUTLIER -70.73 -51.77 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.56 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 28.6 m -51.57 -54.92 22.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.557 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -57.67 -34.37 70.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 215' ' ' ALA . . . . . 0.7 ' CB ' HD22 ' B' ' 309' ' ' LEU . . . -69.75 -46.16 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.511 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 216' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.3 mp -55.1 -50.25 69.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 217' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 2.7 mm-40 -54.56 -27.96 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.528 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -81.28 -35.52 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 219' ' ' ALA . . . . . 0.418 ' HB2' ' CD2' ' B' ' 308' ' ' HIS . . . -97.09 -52.6 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 220' ' ' ALA . . . . . 0.692 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -49.42 -52.73 26.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 221' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 97.5 m-20 -65.36 -33.29 75.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -66.61 -40.46 88.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 223' ' ' PHE . . . . . 0.504 ' CZ ' ' NH1' ' B' ' 304' ' ' ARG . 5.0 m-85 -64.89 -45.81 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 224' ' ' ARG . . . . . 0.4 HH21 ' HD2' ' B' ' 224' ' ' ARG . 3.7 ttm105 -56.27 -55.79 28.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -61.06 -28.55 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -56.13 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.51 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.03 -50.04 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 228' ' ' LYS . . . . . 0.591 ' H ' ' HD2' ' B' ' 228' ' ' LYS . 0.2 OUTLIER -51.88 -43.4 63.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.616 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -64.83 -42.95 94.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 230' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' B' ' 234' ' ' ALA . 2.9 m-85 -65.51 -48.23 73.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.516 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 231' ' ' ALA . . . . . 0.635 ' HB2' ' CB ' ' B' ' 239' ' ' ALA . . . -50.19 -35.23 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.31 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.597 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -123.4 -67.75 0.22 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 234' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -51.32 179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.565 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 235' ' ' GLN . . . . . 0.434 ' HG3' ' H ' ' B' ' 235' ' ' GLN . 0.0 OUTLIER -79.73 171.82 14.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 236' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' B' ' 237' ' ' GLU . 64.5 pttt -65.19 -39.75 93.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' B' ' 236' ' ' LYS . 5.6 tt0 -49.52 -49.19 46.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 238' ' ' THR . . . . . 0.409 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -60.09 -58.93 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 239' ' ' ALA . . . . . 0.635 ' CB ' ' HB2' ' B' ' 231' ' ' ALA . . . -55.16 -42.4 73.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.476 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -66.99 -27.35 67.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 241' ' ' ILE . . . . . 0.469 HG22 ' N ' ' B' ' 242' ' ' PHE . 6.9 mt -70.54 -61.12 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.541 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 242' ' ' PHE . . . . . 0.779 ' CZ ' ' HB2' ' B' ' 336' ' ' ALA . 36.7 m-85 -54.71 -56.13 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 243' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' B' ' 242' ' ' PHE . 0.5 OUTLIER -36.65 -41.96 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.491 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 29.6 tp -70.75 -35.29 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 245' ' ' TYR . . . . . 0.599 ' N ' ' O ' ' B' ' 242' ' ' PHE . 9.1 m-30 -70.2 -43.32 70.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 35.2 m -45.36 -43.19 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.639 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 247' ' ' HIS . . . . . 0.569 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 0.7 OUTLIER -74.58 -26.28 59.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 248' ' ' LEU . . . . . 0.711 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 2.5 tt -62.32 -45.01 95.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 249' ' ' LEU . . . . . 0.556 HD23 HD23 ' B' ' 248' ' ' LEU . 5.8 mt -74.41 -42.89 58.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 54.3 p -73.5 -19.01 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 251' ' ' ASP . . . . . 0.884 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 50.4 p30 -52.12 128.42 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 4.9 t -60.0 -0.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 253' ' ' ARG . . . . . 0.568 HH21 HD12 ' B' ' 254' ' ' LEU . 3.8 tmt_? -76.43 -52.99 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 254' ' ' LEU . . . . . 0.568 HD12 HH21 ' B' ' 253' ' ' ARG . 0.0 OUTLIER -74.58 -36.98 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.613 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 255' ' ' ARG . . . . . 0.562 HH11 HH12 ' B' ' 256' ' ' ARG . 10.8 ttp-105 -61.03 -48.13 83.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 256' ' ' ARG . . . . . 0.562 HH12 HH11 ' B' ' 255' ' ' ARG . 9.3 mmp_? -64.06 -42.18 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.791 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.92 -49.82 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.721 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 258' ' ' LEU . . . . . 0.563 HD23 HG21 ' B' ' 275' ' ' VAL . 14.9 mt -57.17 -53.02 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 259' ' ' PHE . . . . . 0.67 ' O ' HG22 ' B' ' 262' ' ' VAL . 6.9 m-30 -57.49 -31.34 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.63 80.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -70.48 -48.43 55.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 262' ' ' VAL . . . . . 0.67 HG22 ' O ' ' B' ' 259' ' ' PHE . 2.4 m -60.5 -39.24 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 263' ' ' ASP . . . . . 0.458 ' N ' ' CG2' ' B' ' 262' ' ' VAL . 93.0 m-20 -64.54 -12.62 46.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -93.59 -19.37 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 122.98 12.58 4.82 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 266' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' B' ' 262' ' ' VAL . 45.9 t -92.76 153.65 18.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.576 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 267' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' B' ' 268' ' ' ALA . 82.6 t -98.6 143.88 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.541 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 268' ' ' ALA . . . . . 0.73 ' N ' ' OE1' ' B' ' 208' ' ' GLU . . . -37.9 -45.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 269' ' ' GLU . . . . . 0.421 ' H ' HG12 ' B' ' 267' ' ' VAL . 0.1 OUTLIER -47.66 -60.54 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 270' ' ' TRP . . . . . 0.602 ' CH2' ' O ' ' B' ' 200' ' ' ALA . 15.8 m0 -73.64 -39.23 64.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 271' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -47.22 -56.12 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 272' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 276' ' ' ILE . 82.1 t -63.42 -31.94 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 273' ' ' LYS . . . . . 0.688 ' O ' HG13 ' B' ' 276' ' ' ILE . 57.6 tttt -73.29 -40.49 64.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.7 m -66.62 -50.81 61.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 275' ' ' VAL . . . . . 0.563 HG21 HD23 ' B' ' 258' ' ' LEU . 69.3 t -50.56 -54.51 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 276' ' ' ILE . . . . . 0.921 HG23 ' O ' ' B' ' 272' ' ' VAL . 1.3 pp -57.82 -30.94 39.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 277' ' ' GLU . . . . . 0.565 ' N ' HG13 ' B' ' 276' ' ' ILE . 92.1 mt-10 -76.25 -34.67 59.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.684 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 278' ' ' LYS . . . . . 0.603 ' O ' ' CD ' ' B' ' 281' ' ' GLU . 5.2 mtpm? -64.3 -31.26 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 279' ' ' PHE . . . . . 0.556 ' C ' ' CD1' ' B' ' 279' ' ' PHE . 0.0 OUTLIER -79.06 -32.01 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -43.12 -48.45 6.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.6 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.603 ' CD ' ' O ' ' B' ' 278' ' ' LYS . 24.4 pm0 -82.65 -24.9 33.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 282' ' ' GLN . . . . . 0.502 ' N ' ' HG2' ' B' ' 281' ' ' GLU . 13.2 tt0 -60.0 -51.04 71.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 283' ' ' PHE . . . . . 0.47 ' HE1' HG22 ' A' ' 50' ' ' ILE . 8.2 m-30 -78.09 -30.92 49.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.619 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 284' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -54.97 -58.16 8.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 285' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -33.6 -40.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.476 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 286' ' ' LEU . . . . . 0.987 ' HB2' HD21 ' B' ' 291' ' ' LEU . 16.6 mt -79.11 151.23 31.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 94.7 p -111.16 -7.14 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 288' ' ' ASP . . . . . 0.791 ' CG ' HD23 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -50.21 120.51 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 289' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' B' ' 290' ' ' TYR . 6.0 p30 -58.62 -51.73 68.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.492 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 290' ' ' TYR . . . . . 0.539 ' N ' ' OD1' ' B' ' 289' ' ' ASN . 57.6 t80 -48.79 -35.94 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 291' ' ' LEU . . . . . 0.987 HD21 ' HB2' ' B' ' 286' ' ' LEU . 0.3 OUTLIER -91.1 -41.89 10.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 292' ' ' LYS . . . . . 0.73 ' N ' ' HG ' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -41.46 -53.21 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.456 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 293' ' ' GLU . . . . . 0.428 ' OE2' ' CD ' ' B' ' 356' ' ' GLN . 0.1 OUTLIER -65.61 -38.08 88.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.397 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 294' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' B' ' 291' ' ' LEU . 12.8 tpp85 -45.12 -40.6 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.373 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -50.36 -47.62 56.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -53.06 -42.38 61.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 297' ' ' ASP . . . . . 0.537 ' OD2' HG23 ' B' ' 333' ' ' THR . 1.0 OUTLIER -63.3 -40.92 98.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.813 0.34 . . . . 0.0 110.285 179.816 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 298' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' B' ' 279' ' ' PHE . 1.6 mm? -55.55 -46.3 77.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.295 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -56.61 -41.88 77.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.249 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.18 95.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.263 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.468 HD22 HD11 ' B' ' 249' ' ' LEU . 58.1 mt -61.26 -42.42 98.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.326 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.41 -42.56 98.99 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -39.95 86.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.354 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 304' ' ' ARG . . . . . 0.504 ' NH1' ' CZ ' ' B' ' 223' ' ' PHE . 15.3 mmm-85 -65.04 -41.04 95.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.402 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 305' ' ' LEU . . . . . 0.498 HD21 HD11 ' B' ' 216' ' ' LEU . 4.6 mp -60.78 -39.52 89.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 306' ' ' LEU . . . . . 0.563 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.6 OUTLIER -65.28 -37.37 86.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.293 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.45 -45.09 80.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.351 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 308' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' B' ' 219' ' ' ALA . 76.8 m-70 -71.04 -23.86 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.44 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 309' ' ' LEU . . . . . 0.7 HD22 ' CB ' ' B' ' 215' ' ' ALA . 0.4 OUTLIER -63.05 -15.49 56.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.504 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 310' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 0.0 OUTLIER -123.89 108.44 12.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -55.94 -6.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.499 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 312' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' B' ' 310' ' ' ASP . . . -77.52 -23.14 50.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.556 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 313' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.49 150.37 35.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 176.53 91.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.505 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 116.59 -159.8 13.75 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -73.64 144.16 35.15 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.812 2.342 . . . . 0.0 112.12 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.74 144.54 49.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . 43.54 44.9 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 319' ' ' TRP . . . . . 0.686 ' CD2' ' O ' ' B' ' 319' ' ' TRP . 0.0 OUTLIER -84.61 120.03 73.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 320' ' ' PRO . . . . . 0.408 ' O ' ' CD1' ' B' ' 319' ' ' TRP . 49.1 Cg_endo -72.63 -178.46 3.42 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.861 2.374 . . . . 0.0 112.057 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.67 -35.65 74.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 322' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 0.0 OUTLIER -160.26 163.85 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 323' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' B' ' 322' ' ' ARG . 49.9 p90 178.35 169.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 324' ' ' ILE . . . . . 0.469 ' C ' HD12 ' B' ' 324' ' ' ILE . 2.3 pp -107.13 156.47 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 33.2 tp -94.71 114.81 26.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 326' ' ' VAL . . . . . 0.722 HG13 ' O ' ' B' ' 326' ' ' VAL . 7.8 p -114.13 93.92 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.699 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -128.7 163.1 25.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.528 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 328' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 43.2 p-10 -71.83 -27.46 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.542 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 329' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 9.7 pt-20 -144.37 135.3 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.839 HD23 HG22 ' B' ' 348' ' ' VAL . 0.2 OUTLIER -83.28 126.38 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.477 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 6.0 t -137.1 130.52 31.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.44 -38.57 63.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 333' ' ' THR . . . . . 0.537 HG23 ' OD2' ' B' ' 297' ' ' ASP . 11.6 p -53.42 -43.13 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 98.7 m -59.18 -47.32 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.493 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.461 HD11 HD22 ' B' ' 343' ' ' LEU . 0.8 OUTLIER -58.79 -30.87 67.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 336' ' ' ALA . . . . . 0.779 ' HB2' ' CZ ' ' B' ' 242' ' ' PHE . . . -64.37 -3.52 3.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.51 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -93.64 -41.48 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.477 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.75 147.66 37.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.7 143.21 37.18 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.815 2.343 . . . . 0.0 112.181 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 340' ' ' GLN . . . . . 0.403 HE22 ' CD2' ' B' ' 364' ' ' LEU . 1.7 mt-30 -61.29 -20.98 63.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -62.49 -43.21 99.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.455 ' HE ' ' HE1' ' B' ' 319' ' ' TRP . 9.3 mpt_? -76.95 -22.14 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.502 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.461 HD22 HD11 ' B' ' 335' ' ' LEU . 15.5 tp -69.6 114.75 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.95 7.25 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 174.37 164.27 29.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.526 ' HB ' HG23 ' B' ' 368' ' ' THR . 0.2 OUTLIER -141.56 139.66 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.936 0.398 . . . . 0.0 110.649 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.78 127.14 44.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.521 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 348' ' ' VAL . . . . . 0.839 HG22 HD23 ' B' ' 330' ' ' LEU . 1.4 t -126.97 146.59 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.616 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 349' ' ' ARG . . . . . 0.42 ' NH1' ' OE1' ' B' ' 375' ' ' GLN . 49.9 mtp180 -90.79 -37.17 13.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.473 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -135.81 -132.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . 71.28 167.25 7.83 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -108.54 145.29 35.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 110.583 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.58 -15.07 63.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -82.32 1.29 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 355' ' ' SER . . . . . 0.448 ' OG ' ' HB2' ' B' ' 358' ' ' ALA . 83.5 p -63.9 153.68 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.588 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 356' ' ' GLN . . . . . 0.428 ' CD ' ' OE2' ' B' ' 293' ' ' GLU . 15.1 pt20 -63.81 -43.32 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.61 94.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 358' ' ' ALA . . . . . 0.448 ' HB2' ' OG ' ' B' ' 355' ' ' SER . . . -58.56 -41.3 85.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.9 mt -73.32 -28.94 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 360' ' ' MET . . . . . 0.649 ' O ' HD13 ' B' ' 364' ' ' LEU . 15.5 tmm? -66.8 -48.79 67.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.512 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 361' ' ' VAL . . . . . 0.523 HG23 ' N ' ' B' ' 362' ' ' ARG . 23.7 m -66.7 -45.84 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 362' ' ' ARG . . . . . 0.523 ' N ' HG23 ' B' ' 361' ' ' VAL . 18.0 ttp180 -61.64 -42.77 99.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.27 -24.36 63.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 364' ' ' LEU . . . . . 0.649 HD13 ' O ' ' B' ' 360' ' ' MET . 2.2 mp -73.35 -25.45 60.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 96.18 36.31 5.23 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 366' ' ' ILE . . . . . 0.682 ' CG2' ' HD2' ' B' ' 367' ' ' PRO . 34.7 mm -116.73 142.99 30.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.58 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 367' ' ' PRO . . . . . 0.682 ' HD2' ' CG2' ' B' ' 366' ' ' ILE . 53.3 Cg_endo -73.34 126.99 11.46 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.816 2.344 . . . . 0.0 112.126 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 368' ' ' THR . . . . . 0.526 HG23 ' HB ' ' B' ' 346' ' ' VAL . 87.9 m -137.36 145.09 42.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.612 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.14 147.0 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 370' ' ' MET . . . . . 0.953 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 6.0 mtt -126.94 163.32 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.91 -9.63 61.85 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -57.77 119.18 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 373' ' ' ASP . . . . . 0.516 ' OD1' HD13 ' B' ' 171' ' ' ILE . 33.2 p30 -108.24 54.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.579 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 29.9 mm -111.86 122.35 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.609 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 375' ' ' GLN . . . . . 0.42 ' OE1' ' NH1' ' B' ' 349' ' ' ARG . 6.7 mm100 -59.41 115.73 13.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.56 -39.29 29.35 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.781 2.321 . . . . 0.0 112.172 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 82.3 p -51.74 -49.33 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.66 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.09 -36.45 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 379' ' ' LEU . . . . . 0.71 ' O ' ' N ' ' B' ' 381' ' ' ARG . 48.6 mt -65.29 -31.49 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.54 ' C ' ' O ' ' B' ' 379' ' ' LEU . 2.0 t60 26.41 -83.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 381' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.0 OUTLIER -146.23 26.09 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 382' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' B' ' 184' ' ' GLU . 6.7 mtt-85 -68.39 178.41 1.98 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 383' ' ' THR . . . . . 0.467 ' O ' ' OD1' ' B' ' 396' ' ' ASP . 92.4 m -97.74 134.44 40.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 384' ' ' LEU . . . . . 1.092 HD22 ' O ' ' B' ' 384' ' ' LEU . 0.0 OUTLIER -146.23 127.45 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.534 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 385' ' ' ILE . . . . . 0.509 HD12 ' N ' ' B' ' 385' ' ' ILE . 4.3 mp -103.1 128.46 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.68 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 8.8 m -104.55 146.06 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.471 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 387' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' B' ' 391' ' ' GLY . 67.1 t0 -134.1 83.56 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.514 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -57.37 -38.56 87.41 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.23 -54.2 34.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.593 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 390' ' ' ARG . . . . . 0.474 ' O ' ' HG3' ' B' ' 390' ' ' ARG . 0.0 OUTLIER -95.28 -5.97 42.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 56.13 64.12 4.68 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 392' ' ' GLU . . . . . 0.464 ' HG2' ' H ' ' B' ' 393' ' ' LEU . 0.9 OUTLIER -143.4 157.19 44.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.529 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.464 ' H ' ' HG2' ' B' ' 392' ' ' GLU . 50.3 tp -125.44 126.36 44.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.501 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 394' ' ' LEU . . . . . 0.681 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 15.8 mt -99.67 141.59 32.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 395' ' ' VAL . . . . . 0.768 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 0.0 OUTLIER -117.47 99.07 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.536 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 396' ' ' ASP . . . . . 0.567 ' N ' ' CD ' ' B' ' 397' ' ' PRO . 0.1 OUTLIER 28.04 47.93 0.22 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 397' ' ' PRO . . . . . 0.768 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 39.3 Cg_endo -70.21 166.63 27.53 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.885 2.39 . . . . 0.0 112.155 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -43.05 142.49 1.48 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 399' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' B' ' 403' ' ' GLN . 45.8 Cg_endo -71.79 -20.65 25.96 Favored 'Trans proline' 0 C--N 1.303 -1.837 0 C-N-CA 122.721 2.28 . . . . 0.0 112.189 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 400' ' ' VAL . . . . . 0.418 HG13 ' N ' ' B' ' 401' ' ' LEU . 9.2 p -84.09 -37.11 12.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.606 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 401' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' B' ' 401' ' ' LEU . 0.5 OUTLIER -69.03 -45.55 70.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.52 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 402' ' ' LEU . . . . . 0.864 ' O ' HD23 ' B' ' 402' ' ' LEU . 3.3 tt -71.73 -24.31 61.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 403' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' B' ' 399' ' ' PRO . 57.3 tt0 -68.0 -46.63 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.62 -47.43 60.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.587 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -45.07 -44.41 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -66.39 -35.07 79.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -76.06 -38.01 57.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' B' ' 411' ' ' GLU . 3.2 mp -78.38 -64.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 409' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 410' ' ' SER . 1.9 tp -43.43 -38.29 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.576 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 410' ' ' SER . . . . . 0.471 ' N ' ' CG2' ' B' ' 409' ' ' ILE . 84.6 p -70.97 -20.59 62.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.521 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 411' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' B' ' 408' ' ' LEU . 87.8 mt-10 -126.32 -92.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.574 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 412' ' ' GLU . . . . . 0.804 ' C ' HD13 ' B' ' 413' ' ' ILE . 23.7 pt-20 30.74 -133.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.505 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 413' ' ' ILE . . . . . 0.804 HD13 ' C ' ' B' ' 412' ' ' GLU . 0.0 OUTLIER -110.86 -85.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -160.44 -126.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.628 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 415' ' ' LEU . . . . . 0.703 ' O ' ' C ' ' B' ' 416' ' ' SER . 1.5 mt -59.92 -64.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.619 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.738 ' O ' ' N ' ' B' ' 418' ' ' LEU . 0.9 OUTLIER 1.0 -70.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.581 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 417' ' ' ARG . . . . . 0.681 ' N ' ' O ' ' B' ' 415' ' ' LEU . 0.4 OUTLIER -35.05 -20.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 418' ' ' LEU . . . . . 0.949 HD12 ' N ' ' B' ' 419' ' ' ALA . 0.1 OUTLIER -34.21 156.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 419' ' ' ALA . . . . . 0.949 ' N ' HD12 ' B' ' 418' ' ' LEU . . . 74.35 149.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.61 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 420' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' B' ' 423' ' ' VAL . 58.9 mm-40 -98.08 110.33 22.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.61 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 421' ' ' ASP . . . . . 0.6 ' C ' ' H ' ' B' ' 423' ' ' VAL . 75.6 m-20 -82.98 152.74 25.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.522 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' B' ' 422' ' ' ASP . 0.4 OUTLIER 62.25 -8.08 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.538 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 423' ' ' VAL . . . . . 0.6 ' H ' ' C ' ' B' ' 421' ' ' ASP . 43.2 t -136.11 150.83 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.644 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 424' ' ' ASN . . . . . 0.503 ' O ' ' NH2' ' B' ' 172' ' ' ARG . 2.8 m120 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.051 -0.975 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.611 HG22 ' OG1' ' A' ' 68' ' ' THR . 71.1 p -82.91 159.96 22.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 1.149 HG21 ' OE1' ' A' ' 72' ' ' GLU . 16.8 m -134.62 118.29 25.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -125.07 174.32 8.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.622 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -163.22 131.86 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 6' ' ' THR . 14.8 t -77.98 129.23 35.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.44 123.62 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.46 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.622 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -80.26 126.81 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.559 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.4 mt -90.16 105.84 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.662 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.497 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -82.98 55.13 2.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.51 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 63.81 25.44 14.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.52 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 3.2 ttpt -165.96 97.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.976 HD13 ' H ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -61.98 -1.56 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.515 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . 147.97 -124.18 1.85 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.32 98.67 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.434 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 54.56 -96.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.479 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . . . -144.08 -0.16 1.03 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.551 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.616 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 14.6 mmp_? -52.33 -45.96 94.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.545 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.616 ' HD3' ' HB2' ' A' ' 18' ' ' ARG . 52.3 Cg_exo -47.63 -49.43 13.44 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.853 2.369 . . . . 0.0 112.134 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.0 90.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.647 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -69.43 -43.33 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.18 -37.88 86.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.945 HD21 HG22 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -48.65 -43.69 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.525 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.35 -36.27 75.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.675 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -76.27 -34.63 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.896 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 96.6 mt -68.0 -40.96 82.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.825 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 2.8 tpp -58.24 -27.91 64.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.691 ' N ' HE21 ' A' ' 28' ' ' GLN . 0.0 OUTLIER -87.2 -28.71 22.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.599 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.9 -25.04 35.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.896 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 2.0 p90 -119.44 135.7 54.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.574 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.751 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 29.9 t0 -77.75 110.82 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.601 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.772 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 155.13 148.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -98.23 129.07 44.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.61 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.783 ' O ' HD12 ' A' ' 35' ' ' LEU . 6.5 p -106.82 132.47 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 34' ' ' VAL . 5.8 mp -133.54 138.56 46.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.778 ' C ' ' HG2' ' A' ' 37' ' ' ARG . 4.2 mp -108.87 149.42 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.477 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.778 ' HG2' ' C ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -146.15 134.28 21.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.499 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.489 ' ND2' ' SD ' ' A' ' 54' ' ' MET . 67.1 m-80 -90.72 155.36 18.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -52.82 -26.99 16.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 34.5 tt0 -68.82 -9.93 53.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.549 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' OE2' ' A' ' 43' ' ' GLU . . . 91.44 12.14 60.06 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -85.3 116.48 23.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -77.69 103.04 7.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.63 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.643 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.27 65.39 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.553 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -40.64 120.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.6 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -62.7 -10.17 11.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -99.7 28.46 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.548 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -146.55 123.8 11.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.1 m -63.75 -35.61 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.446 HD11 ' CZ ' ' B' ' 279' ' ' PHE . 60.5 mt -61.47 -37.0 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.507 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.643 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.65 -42.45 91.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.6 tp -58.23 -38.78 77.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.615 ' O ' HD13 ' B' ' 286' ' ' LEU . 34.1 mt -65.18 -36.75 85.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.534 ' CE ' HH12 ' A' ' 61' ' ' ARG . 1.9 tmt? -67.89 -36.79 80.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.1 tp -62.69 -36.06 81.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -52.72 -35.19 55.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.9 p -76.19 -6.59 51.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.25 29.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 59' ' ' LYS . 16.9 ptmt -69.84 97.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.02 4.72 38.67 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.534 HH12 ' CE ' ' A' ' 54' ' ' MET . 24.1 mtm180 -105.47 165.44 11.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.745 0.307 . . . . 0.0 110.546 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.61 143.15 29.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.42 ' CD1' HG13 ' A' ' 65' ' ' VAL . 1.1 pt -130.02 163.64 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.589 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -126.09 100.6 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -80.52 129.44 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 1.5 pt-20 -121.76 139.47 53.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.533 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 3' ' ' VAL . . . -138.42 131.48 29.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.622 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.611 ' OG1' HG22 ' A' ' 2' ' ' THR . 56.1 m -121.91 140.76 52.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.615 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.826 ' O ' ' HG3' ' A' ' 72' ' ' GLU . . . 133.52 -177.11 19.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -72.62 -37.01 4.37 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.839 2.359 . . . . 0.0 112.13 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.1 mt-30 -97.9 3.89 49.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.594 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 1.149 ' OE1' HG21 ' A' ' 3' ' ' VAL . 1.2 pp20? -35.86 -42.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.569 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.855 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 4.1 tp10 -57.86 -50.01 74.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.4 tm-20 -57.87 -52.52 65.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.796 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.26 -49.82 71.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.574 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.622 HD21 ' HB2' ' A' ' 5' ' ' GLN . 62.2 tp -64.29 -44.64 91.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.606 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.42 99.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.645 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.945 HG22 HD21 ' A' ' 23' ' ' LEU . 24.4 t -66.45 -43.18 91.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -64.22 -41.32 92.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.504 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.22 -37.06 85.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.56 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.21 -37.16 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.72 -32.36 70.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.553 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 85' ' ' SER . 62.3 m-80 -82.41 -5.73 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 3.3 m . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.49 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' B' ' 393' ' ' LEU . 4.7 ttt85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 27.0 mm -108.86 132.61 56.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -87.63 109.93 20.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.573 ' HB2' HD11 ' B' ' 393' ' ' LEU . . . -118.74 149.6 41.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.6 HD22 ' N ' ' B' ' 174' ' ' LEU . 3.7 mm? -73.05 117.56 61.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . 0.454 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 49.3 Cg_endo -72.75 112.09 3.41 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.789 2.326 . . . . 0.0 112.108 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -90.81 -22.77 20.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -147.64 108.86 3.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.47 161.29 0.29 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.82 2.347 . . . . 0.0 112.128 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . 0.584 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 118.44 159.91 11.33 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.9 p -128.21 144.65 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.499 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -154.41 150.22 27.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.571 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 8.3 tt -126.1 131.43 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.587 ' HB1' ' HA ' ' B' ' 323' ' ' PHE . . . -177.55 168.21 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.531 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 184' ' ' GLU . 10.8 pm0 -74.47 162.79 28.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.548 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.659 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.75 122.87 7.7 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -131.81 135.61 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.544 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.772 0.32 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 0.774 ' H ' HD12 ' B' ' 203' ' ' LEU . 0.1 OUTLIER -98.17 91.26 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.668 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 30.5 p-10 -157.02 46.31 0.25 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 54.4 Cg_exo -46.81 -54.36 5.02 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.83 2.353 . . . . 0.0 112.117 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -81.89 -49.96 9.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -49.23 -43.49 42.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.548 ' HG3' ' HB2' ' B' ' 268' ' ' ALA . 5.4 tp10 -71.64 -50.24 32.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -52.19 -53.45 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.476 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.8 -39.7 92.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.494 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.432 HH12 ' CD ' ' B' ' 269' ' ' GLU . 14.2 ttt-85 -55.64 -39.93 71.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.454 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.423 HD23 ' HB1' ' B' ' 268' ' ' ALA . 0.1 OUTLIER -64.7 -50.4 67.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 89.4 m -56.13 -49.49 73.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.46 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.77 -36.0 84.66 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.37 -40.44 77.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.485 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.8 mm? -57.22 -51.01 71.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.37 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 4.0 mm-40 -52.47 -36.07 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.357 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -79.24 -32.04 43.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.402 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.0 -49.34 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.399 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.697 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.44 -49.81 73.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.373 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 98.0 m-20 -64.65 -33.41 75.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.383 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 3.3 tm-20 -70.32 -34.93 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.464 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.66 -43.94 52.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -61.82 -40.63 95.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.397 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -33.69 70.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.735 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.2 OUTLIER -60.46 -57.19 13.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 68.1 p -59.5 -41.54 90.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.531 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -38.37 45.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -69.92 -41.26 74.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.96 -49.23 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.41 65.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.84 -18.16 65.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . 0.904 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -142.42 -91.83 0.17 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.904 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -10.1 -122.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.636 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.71 176.19 8.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -83.71 -27.17 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.647 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.67 -44.08 97.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.589 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.81 -54.72 30.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' B' ' 243' ' ' ASP . . . -54.52 -43.52 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.14 82.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.39 -62.46 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.531 ' O ' ' N ' ' B' ' 245' ' ' TYR . 33.3 m-85 -57.4 -61.04 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' B' ' 242' ' ' PHE . 66.7 t0 -35.42 -42.67 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.596 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.74 -43.29 89.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.536 ' O ' ' HB3' ' B' ' 248' ' ' LEU . 0.4 OUTLIER -71.65 -39.08 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.634 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 41.0 t -50.23 -43.82 53.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -70.17 -29.26 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.592 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.543 ' CD1' HH22 ' B' ' 253' ' ' ARG . 3.9 tp -59.79 -66.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.725 ' HB3' HD21 ' B' ' 301' ' ' LEU . 3.0 pp -52.9 -38.51 61.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.585 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . 0.723 ' N ' HD12 ' B' ' 249' ' ' LEU . 51.9 p -75.6 -19.2 59.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' B' ' 253' ' ' ARG . 62.2 t0 -57.49 123.03 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.58 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 1.8 t -52.5 -6.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.565 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.87 ' O ' ' HG3' ' B' ' 256' ' ' ARG . 2.5 ttp-105 -75.15 -49.88 18.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.89 -45.25 78.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -58.72 -49.68 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . 0.87 ' HG3' ' O ' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -58.38 -40.22 81.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.556 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' B' ' 256' ' ' ARG . 2.4 mt-10 -59.17 -49.51 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.985 HD21 HG23 ' B' ' 272' ' ' VAL . 6.8 mp -59.75 -47.37 85.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -31.3 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.671 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.3 97.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . 0.464 ' HA ' ' NZ ' ' B' ' 264' ' ' LYS . 80.6 mm-40 -63.15 -37.39 87.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 45.1 t -68.09 -33.36 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.92 -19.06 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . 0.464 ' NZ ' ' HA ' ' B' ' 261' ' ' GLU . 15.4 mttp -96.58 -24.55 15.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.558 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.65 21.42 2.19 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 45.9 t -85.69 154.4 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.603 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.48 133.49 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.548 ' HB2' ' HG3' ' B' ' 208' ' ' GLU . . . -46.14 -54.15 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' B' ' 269' ' ' GLU . 2.0 mp0 -39.97 -55.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.454 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . 0.544 ' O ' HG23 ' B' ' 274' ' ' THR . 5.7 m0 -82.33 -41.17 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.509 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -53.52 -51.89 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.513 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.985 HG23 HD21 ' B' ' 258' ' ' LEU . 7.2 p -57.54 -39.77 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.46 ' N ' HG13 ' B' ' 272' ' ' VAL . 4.8 ttmt -67.75 -42.68 81.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . 0.544 HG23 ' O ' ' B' ' 270' ' ' TRP . 72.2 p -64.85 -47.96 76.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.515 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.613 HG11 ' CD1' ' B' ' 258' ' ' LEU . 56.0 t -55.63 -47.84 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.442 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.531 HD13 ' O ' ' B' ' 272' ' ' VAL . 1.2 mp -63.73 -38.42 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.577 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 80.0 tt0 -65.58 -42.78 91.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.391 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -62.35 -36.59 82.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.396 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . 0.504 ' CE2' ' NH1' ' B' ' 253' ' ' ARG . 1.5 m-85 -71.42 -35.22 70.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.446 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -51.19 -41.8 60.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.456 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.577 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 4.6 mp0 -69.29 -36.98 77.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -66.11 -40.72 90.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 53' ' ' LEU . 5.1 m-85 -65.86 -39.2 90.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -66.83 -44.85 80.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -38.38 -32.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.663 ' O ' ' HD2' ' B' ' 292' ' ' LYS . 39.0 tp -65.2 142.24 58.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.607 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 43.2 t -92.16 -39.0 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.712 ' O ' ' HB3' ' B' ' 292' ' ' LYS . 9.3 t70 -60.26 105.26 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -69.61 -23.2 63.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.95 -22.47 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' B' ' 294' ' ' ARG . 0.1 OUTLIER -138.33 -39.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.55 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.712 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -39.52 -46.44 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.545 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . 0.482 ' N ' ' HG2' ' B' ' 292' ' ' LYS . 8.8 tm-20 -46.72 -24.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.524 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 291' ' ' LEU . 68.8 mmt-85 -40.12 -29.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -46.79 -50.23 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.47 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -52.05 -42.35 54.42 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.518 ' OD2' ' NE2' ' B' ' 356' ' ' GLN . 63.0 m-20 -64.0 -40.33 96.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.46 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . 0.447 ' O ' HD12 ' B' ' 298' ' ' LEU . 12.5 tp -56.43 -50.14 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.398 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -49.96 -43.95 50.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.385 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.414 ' HB3' HG21 ' B' ' 333' ' ' THR . . . -63.41 -39.15 93.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.435 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.725 HD21 ' HB3' ' B' ' 249' ' ' LEU . 11.5 tp -59.73 -43.69 94.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.312 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.06 99.41 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.3 -40.19 81.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 0.0 110.396 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 5.8 mmm-85 -66.36 -40.24 89.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 36.0 mt -67.69 -36.89 81.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -44.19 91.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.452 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -72.53 -38.53 68.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.5 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 63.6 m-70 -70.54 -24.2 62.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.449 HD12 ' OE2' ' B' ' 269' ' ' GLU . 0.5 OUTLIER -64.31 -11.38 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.504 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -134.56 104.16 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.532 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.814 0.34 . . . . 0.0 110.593 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.587 ' HA ' ' HB1' ' B' ' 183' ' ' ALA . 7.7 p90 177.52 177.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 1.8 pt -124.94 151.49 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.514 HD23 ' H ' ' B' ' 326' ' ' VAL . 0.5 OUTLIER -85.39 135.5 33.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.59 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.699 HG13 ' O ' ' B' ' 326' ' ' VAL . 7.2 p -124.16 97.21 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.594 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.691 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -129.94 152.62 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 42.9 p-10 -60.08 -29.09 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 0.0 OUTLIER -146.02 133.89 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.579 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' B' ' 330' ' ' LEU . 12.9 tp -66.47 112.26 3.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 57.9 m -111.23 118.05 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.618 ' N ' ' HB2' ' B' ' 357' ' ' ALA . . . -53.68 -42.85 68.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.414 HG21 ' HB3' ' B' ' 300' ' ' ALA . 29.1 p -57.71 -41.32 81.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 86.7 m -58.99 -50.62 73.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.481 ' O ' HD23 ' B' ' 335' ' ' LEU . 1.8 tt -61.18 -38.78 87.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . 0.735 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -65.59 2.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' B' ' 335' ' ' LEU . 41.5 tt0 -104.57 -33.71 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.473 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 90.6 mt -103.45 150.21 37.8 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . 0.816 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 51.1 Cg_endo -72.81 130.58 15.9 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.813 2.342 . . . . 0.0 112.119 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' B' ' 343' ' ' LEU . 1.4 tm0? -65.59 -35.04 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.816 ' OD1' ' HB2' ' B' ' 339' ' ' PRO . 44.3 p-10 -48.13 -43.15 30.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.642 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 18.8 mmt180 -91.35 -8.15 48.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.642 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 344' ' ' VAL . 1.0 OUTLIER -109.7 120.13 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.908 HG13 ' H ' ' B' ' 345' ' ' GLY . 14.9 p -100.67 -66.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . 0.908 ' H ' HG13 ' B' ' 344' ' ' VAL . . . -128.72 -175.49 14.08 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 325' ' ' LEU . 0.2 OUTLIER -164.72 141.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.547 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . 0.677 HG22 HG23 ' B' ' 369' ' ' VAL . 19.7 t -113.31 124.63 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.691 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 11.2 m -111.01 161.52 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -100.1 1.79 42.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 352' ' ' ALA . 28.3 t0 -154.84 -93.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.633 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 17.58 50.16 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . 0.73 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -89.76 169.2 11.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.631 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 87.34 -154.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -107.73 47.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 69.3 m -54.09 150.15 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.593 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . 0.518 ' NE2' ' OD2' ' B' ' 297' ' ' ASP . 0.0 OUTLIER -48.31 -36.69 14.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.583 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . 0.618 ' HB2' ' N ' ' B' ' 332' ' ' ALA . . . -83.81 -20.97 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.676 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -84.29 -29.9 26.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 16.5 tt -84.25 -31.92 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . 0.549 ' CG ' ' N ' ' B' ' 361' ' ' VAL . 2.5 ptt? -74.4 -42.85 58.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.549 ' N ' ' CG ' ' B' ' 360' ' ' MET . 8.3 p -66.53 -42.83 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.533 ' N ' HG13 ' B' ' 361' ' ' VAL . 12.2 ttm-85 -59.46 -47.88 83.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -66.22 -24.84 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -29.4 66.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.534 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 89.55 28.7 18.56 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . 0.627 HG23 ' O ' ' B' ' 344' ' ' VAL . 1.2 mp -105.53 126.27 31.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.65 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.49 131.72 19.38 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.898 2.398 . . . . 0.0 112.11 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 5.7 m -149.76 141.14 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . 0.677 HG23 HG22 ' B' ' 347' ' ' VAL . 0.0 OUTLIER -137.83 151.55 25.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.465 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -136.55 168.97 18.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.626 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 94.84 -0.27 64.63 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -60.4 114.91 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.83 44.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 9.9 tt -125.69 148.65 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.632 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -88.5 147.67 40.31 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . 0.469 ' HA ' HD12 ' B' ' 379' ' ' LEU . 51.6 Cg_endo -72.82 -13.0 26.71 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.894 2.396 . . . . 0.0 112.132 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 89.5 p -55.44 -44.65 76.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.482 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 33.4 m -90.63 23.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' B' ' 380' ' ' HIS . 13.9 mt -116.45 -31.36 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.659 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER 16.85 -84.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.2 OUTLIER -137.46 21.22 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -62.14 167.97 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.599 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 24.2 m -87.58 128.05 35.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.471 HD12 ' O ' ' B' ' 394' ' ' LEU . 19.5 tp -136.16 118.97 16.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.505 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . 0.876 ' N ' HD12 ' B' ' 385' ' ' ILE . 2.7 mp -98.84 113.85 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.623 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 1.3 p -97.75 133.34 40.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.675 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.8 t0 -124.44 87.67 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -51.65 -44.11 54.02 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -52.54 23.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.333 . . . . 0.0 110.628 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . 0.546 ' NH1' ' OE2' ' B' ' 392' ' ' GLU . 6.9 mmm180 -103.43 7.35 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.468 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 40.39 47.6 3.68 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . 0.696 ' C ' HD23 ' B' ' 393' ' ' LEU . 6.2 mt-10 -114.65 153.45 30.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.593 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.696 HD23 ' C ' ' B' ' 392' ' ' GLU . 0.5 OUTLIER -127.28 109.65 12.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.54 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 22.5 mt -93.33 156.49 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.628 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.598 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 94.3 t -129.74 111.06 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' B' ' 395' ' ' VAL . 23.3 m-20 24.27 54.47 0.28 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.598 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 45.8 Cg_endo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 122.78 2.32 . . . . 0.0 112.092 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 3' ' ' VAL . 43.6 m -83.39 158.13 22.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER -132.56 118.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.648 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -125.61 172.36 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.657 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 6' ' ' THR . 15.4 tm0? -161.21 133.46 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.536 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.586 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 63.6 p -79.68 129.19 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.599 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.7 p -130.15 125.55 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.8 125.56 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.595 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.8 mt -88.64 104.66 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -83.25 59.37 4.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.636 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 m120 62.2 21.42 12.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -162.05 103.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 2.5 pp -65.91 -6.84 13.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.625 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.663 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 124.76 45.99 0.25 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' HIS . 6.6 tpt 71.0 70.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.557 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.749 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -39.53 148.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.525 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 86.3 33.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.775 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -167.75 -69.12 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.55 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.775 ' HD3' ' CB ' ' A' ' 18' ' ' ARG . 50.4 Cg_exo -49.24 -53.85 6.37 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.888 2.392 . . . . 0.0 112.109 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.508 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -62.7 -44.39 96.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.581 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -67.19 -42.28 84.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -62.05 -36.93 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.66 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.631 HD11 ' CG2' ' A' ' 79' ' ' VAL . 7.1 mt -50.32 -44.68 54.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.59 -37.52 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -74.59 -34.46 62.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.694 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.854 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 34.7 mt -68.44 -41.04 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.581 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.852 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 47.9 ttm -57.56 -28.8 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.578 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -86.33 -29.77 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.631 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.52 -24.19 44.01 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.854 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.7 p90 -120.39 136.79 54.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.759 0.314 . . . . 0.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.739 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 91.8 m-20 -78.96 109.96 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.548 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.794 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.8 147.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.75 127.77 43.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.816 ' O ' HD12 ' A' ' 35' ' ' LEU . 31.6 t -106.01 133.37 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.491 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 34' ' ' VAL . 6.3 mp -134.41 138.05 44.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.651 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -106.24 151.32 24.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.49 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.643 ' H ' HD12 ' A' ' 63' ' ' ILE . 52.8 mtt180 -148.41 133.35 18.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.406 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 63.0 m-80 -91.75 155.65 18.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.62 -28.99 23.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.586 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.75 -11.92 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.44 11.01 58.76 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 38' ' ' ASN . 44.4 p -83.92 117.49 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.735 0.303 . . . . 0.0 110.546 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.485 ' HG2' ' HE ' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -78.24 103.08 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.568 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.1 65.45 7.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.52 ' CD ' HD21 ' A' ' 47' ' ' ASN . 6.8 tt0 -41.12 120.68 1.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.76 -8.77 7.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.432 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.52 HD21 ' CD ' ' A' ' 45' ' ' GLU . 51.7 p30 -100.56 27.03 6.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.531 ' OG ' ' NE ' ' B' ' 253' ' ' ARG . 0.3 OUTLIER -145.72 123.75 12.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.601 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.446 HG11 HD12 ' B' ' 248' ' ' LEU . 17.1 m -63.62 -35.43 72.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 51' ' ' ALA . 12.4 tt -61.46 -36.9 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.96 -42.67 89.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.508 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 6.5 mp -58.3 -38.42 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' B' ' 291' ' ' LEU . 52.6 mt -65.2 -36.39 84.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.465 ' HA ' HD11 ' B' ' 286' ' ' LEU . 53.0 ttm -68.43 -36.55 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.1 mt -63.23 -35.18 79.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.487 ' OD2' HD22 ' B' ' 291' ' ' LEU . 74.1 m-20 -53.08 -34.66 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.6 p -76.79 -6.58 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.89 28.59 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.524 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -68.57 97.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.6 4.93 39.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.2 165.42 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -98.71 142.21 30.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.643 HD12 ' H ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -129.56 162.27 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -124.9 101.31 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 5' ' ' GLN . 4.0 m -80.83 130.16 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -122.03 140.15 52.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.68 130.7 26.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.647 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.463 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.5 t -121.39 141.14 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.44 -176.54 19.58 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.08 -37.05 3.73 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.788 2.325 . . . . 0.0 112.129 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 74' ' ' GLU . 5.1 mm100 -97.81 3.01 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.42 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 71' ' ' GLN . 18.4 pt-20 -35.46 -42.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.529 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 41.0 tp10 -58.17 -49.48 76.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 71' ' ' GLN . 68.9 mm-40 -58.93 -50.45 74.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.07 77.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -44.21 90.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.38 99.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.51 98.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.631 ' CG2' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -66.49 -43.12 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.623 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.531 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -64.05 -41.81 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.456 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.58 -35.68 81.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.554 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 82' ' ' LEU . 1.3 mm? -73.43 -36.57 65.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.3 m-85 -71.12 -32.31 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 85' ' ' SER . 35.8 m-80 -81.85 -4.62 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.5 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.548 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.75 137.15 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.717 ' HE ' ' N ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -87.34 111.99 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -115.77 157.08 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.61 ' CD2' ' N ' ' B' ' 174' ' ' LEU . 2.6 mm? -77.51 117.4 65.3 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.557 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.27 111.94 3.32 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.906 2.404 . . . . 0.0 112.102 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -88.88 -32.1 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.543 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -143.85 103.78 4.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.662 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.11 139.14 15.7 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.923 2.415 . . . . 0.0 112.14 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 141.49 164.7 10.1 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . 0.41 HG12 ' N ' ' B' ' 181' ' ' ALA . 98.3 t -110.57 153.38 12.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.349 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . 0.41 ' N ' HG12 ' B' ' 180' ' ' VAL . . . -155.69 129.46 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.604 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . 0.498 HG23 ' O ' ' B' ' 182' ' ' ILE . 14.1 tt -123.49 121.92 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.525 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . -174.71 174.21 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.51 150.49 25.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.626 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.536 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -78.37 141.43 24.84 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -144.52 120.36 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.515 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 87.4 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.665 0.269 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 0.617 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 7.6 mp -43.46 116.51 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.688 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 83.7 m-20 -151.2 44.39 0.29 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.543 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.688 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 58.5 Cg_exo -46.72 -49.25 12.5 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.736 2.291 . . . . 0.0 112.102 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -52.87 -56.35 16.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -44.37 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.588 ' HB3' HG11 ' B' ' 262' ' ' VAL . 0.0 OUTLIER -61.46 -54.4 43.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -53.61 -48.28 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.439 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . 0.446 ' HA ' ' OG1' ' B' ' 213' ' ' THR . 4.9 mt-10 -64.66 -35.63 81.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.466 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -54.38 -47.12 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -50.25 49.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . 0.446 ' OG1' ' HA ' ' B' ' 210' ' ' GLU . 68.1 p -56.14 -52.25 65.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.19 -35.97 92.31 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -74.9 -41.05 60.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' B' ' 220' ' ' ALA . 10.3 tp -58.01 -49.75 75.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.995 ' O ' ' HB3' ' B' ' 221' ' ' ASN . 40.8 mm-40 -55.58 -33.97 64.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . 0.59 ' O ' ' CB ' ' B' ' 222' ' ' GLU . 2.2 mt-10 -83.7 -25.3 30.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.449 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -92.87 -59.33 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.464 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.576 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.72 -50.5 70.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.545 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.995 ' HB3' ' O ' ' B' ' 217' ' ' GLU . 1.3 t30 -66.29 -34.1 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.59 ' CB ' ' O ' ' B' ' 218' ' ' GLU . 3.8 tm-20 -71.62 -35.06 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.474 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -77.45 -41.03 41.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.454 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -62.68 -40.59 97.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -72.6 -33.34 66.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.494 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -51.79 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.616 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . 0.641 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 64.1 p -64.79 -37.46 87.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.428 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -52.63 -36.7 57.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . 0.428 ' HD3' HH21 ' B' ' 229' ' ' ARG . 33.1 ttp-105 -78.42 -46.07 20.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' B' ' 234' ' ' ALA . 11.8 m-85 -52.17 -49.47 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -45.64 -38.7 6.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' B' ' 229' ' ' ARG . . . -51.85 -20.9 2.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . 0.74 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -143.64 -63.6 0.02 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.74 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -34.31 172.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.521 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.712 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 0.6 OUTLIER -82.88 168.65 16.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . 0.712 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 0.0 OUTLIER -60.02 -27.76 67.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.83 -52.24 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.621 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.424 ' OG1' ' SD ' ' B' ' 360' ' ' MET . 1.2 m -54.63 -57.75 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -51.9 -41.19 61.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.556 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.36 83.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.486 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.11 -50.87 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.641 ' HB2' ' HB3' ' B' ' 227' ' ' SER . 0.0 OUTLIER -52.81 -60.43 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.493 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.618 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 35.3 t0 -41.81 -41.29 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.498 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 9.0 tp -80.44 -37.5 31.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.605 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -62.57 -53.2 58.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 15.8 p -53.96 -42.92 69.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 15.6 t60 -71.59 -28.17 63.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.541 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 8.9 tt -74.01 -43.82 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.591 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.644 HD21 HD13 ' B' ' 301' ' ' LEU . 0.3 OUTLIER -77.9 -40.21 40.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . 0.412 ' HG ' ' HA ' ' B' ' 247' ' ' HIS . 77.1 p -70.0 -21.4 63.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.626 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.837 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 38.1 p-10 -51.02 127.65 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.503 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 9.5 t -61.27 4.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.569 ' H ' ' C ' ' B' ' 251' ' ' ASP . 85.9 mtt-85 -80.55 -40.01 26.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . 0.48 HD13 ' O ' ' B' ' 254' ' ' LEU . 0.1 OUTLIER -65.43 -45.85 82.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.639 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -43.4 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -60.61 -42.96 97.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.594 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -62.66 -50.11 72.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.703 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.477 ' CD1' HG12 ' B' ' 272' ' ' VAL . 2.2 tt -61.21 -58.41 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.691 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . 0.75 ' O ' HG22 ' B' ' 262' ' ' VAL . 89.4 t80 -52.17 -35.84 49.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.18 89.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.704 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.59 -45.93 77.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . 0.75 HG22 ' O ' ' B' ' 259' ' ' PHE . 1.3 m -66.02 -31.19 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.545 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -51.99 -19.76 2.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.55 -17.76 17.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.568 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 122.21 17.77 3.59 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 70.7 m -83.2 153.89 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . 0.545 HG13 ' H ' ' B' ' 270' ' ' TRP . 12.0 p -97.94 147.16 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.532 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.588 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -50.28 -46.6 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.412 ' H ' HG22 ' B' ' 267' ' ' VAL . 0.8 OUTLIER -41.74 -54.67 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.486 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . 0.545 ' H ' HG13 ' B' ' 267' ' ' VAL . 0.0 OUTLIER -81.23 -36.8 29.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.538 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.642 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -52.1 -53.0 47.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.581 HG22 ' O ' ' B' ' 268' ' ' ALA . 18.0 m -67.79 -31.9 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -73.65 -50.08 22.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . 0.496 ' OG1' ' CE3' ' B' ' 270' ' ' TRP . 11.6 m -65.41 -55.84 15.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.544 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 271' ' ' ALA . 94.0 t -47.51 -56.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.514 HD13 ' O ' ' B' ' 272' ' ' VAL . 1.5 mp -57.36 -43.38 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -63.09 -39.77 95.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.653 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -36.18 78.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -71.79 -32.71 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . 0.417 ' HB3' ' OE2' ' B' ' 281' ' ' GLU . . . -66.77 -35.5 80.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.505 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.489 ' N ' ' OE2' ' B' ' 281' ' ' GLU . 0.1 OUTLIER -72.5 -41.52 65.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.462 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -61.64 -41.95 98.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.519 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.547 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 5.5 m-30 -71.01 -35.72 72.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.93 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.565 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -43.98 -32.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.644 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 1.112 HD12 ' OD1' ' B' ' 288' ' ' ASP . 1.7 mm? -62.48 161.64 11.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.541 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 98.2 p -109.48 -22.41 12.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 1.112 ' OD1' HD12 ' B' ' 286' ' ' LEU . 2.2 p-10 -59.01 94.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . 0.422 ' HA ' ' HG3' ' B' ' 292' ' ' LYS . 2.7 m120 -65.64 -28.68 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.605 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . 0.621 ' C ' HD12 ' B' ' 291' ' ' LEU . 70.1 m-85 -58.5 -16.21 14.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.613 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.642 ' O ' ' N ' ' B' ' 294' ' ' ARG . 4.3 mp -144.45 -52.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.589 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.728 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -31.94 -39.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.425 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . 0.646 ' N ' ' HG3' ' B' ' 292' ' ' LYS . 7.2 tm-20 -55.1 -20.03 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.518 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.773 HH11 ' CG ' ' B' ' 297' ' ' ASP . 3.7 mmp_? -41.57 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.512 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -43.5 -47.24 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.502 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.44 -44.6 28.64 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.773 ' CG ' HH11 ' B' ' 294' ' ' ARG . 1.2 m-20 -63.06 -42.64 99.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . 0.424 HD13 HD23 ' B' ' 301' ' ' LEU . 3.1 mm? -53.5 -53.84 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . 0.403 HH21 ' HD2' ' B' ' 299' ' ' ARG . 7.3 mmm180 -55.22 -39.0 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.423 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.437 ' HB2' HG21 ' B' ' 333' ' ' THR . . . -66.37 -40.15 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.374 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.921 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.1 OUTLIER -54.39 -42.45 70.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.502 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . 0.581 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -62.87 -43.22 99.25 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.24 -42.44 98.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.386 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.652 ' O ' ' CD2' ' B' ' 308' ' ' HIS . 0.5 OUTLIER -69.26 -40.15 77.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.355 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 1.3 tp -68.52 -39.08 81.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.341 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.54 -43.17 97.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.466 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -64.79 -41.64 95.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.535 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . 0.652 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 83.0 m-70 -73.52 -24.34 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.513 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.05 -21.28 64.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -108.32 118.93 38.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.686 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.519 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.837 0.351 . . . . 0.0 110.578 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 5.2 m-85 -173.33 157.05 3.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.49 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.525 HG13 ' HB3' ' B' ' 183' ' ' ALA . 4.8 mt -117.37 151.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.553 HD13 ' N ' ' B' ' 326' ' ' VAL . 0.1 OUTLIER -97.64 126.56 43.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.565 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.553 ' N ' HD13 ' B' ' 325' ' ' LEU . 0.0 OUTLIER -129.34 96.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.515 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -130.36 158.06 40.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 17.8 p30 -73.87 -24.7 59.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.49 124.74 12.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.734 HD13 HG22 ' B' ' 348' ' ' VAL . 2.3 tp -75.98 122.01 23.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.637 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . 0.536 ' O ' ' OG1' ' B' ' 334' ' ' THR . 70.2 m -135.9 133.81 38.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.62 -44.17 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.642 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' B' ' 334' ' ' THR . 2.7 t -48.42 -44.11 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . 0.545 ' N ' ' CG2' ' B' ' 333' ' ' THR . 5.6 p -71.75 -51.27 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' B' ' 343' ' ' LEU . 0.1 OUTLIER -59.18 -34.05 71.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.502 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.26 8.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.566 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' B' ' 335' ' ' LEU . 0.7 OUTLIER -106.41 -32.43 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 3.0 mp -113.1 119.05 43.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.65 144.12 11.28 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.858 2.372 . . . . 0.0 112.087 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -60.29 -25.02 65.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -58.95 -45.25 90.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.493 HH11 ' CG ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -77.46 -7.46 56.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.624 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.576 ' CD1' HD21 ' B' ' 335' ' ' LEU . 5.1 tt -100.6 100.43 11.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 28.1 m -110.76 8.39 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.679 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -176.95 151.09 10.79 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.6 142.45 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . 0.475 HG13 HG12 ' B' ' 326' ' ' VAL . 0.5 OUTLIER -149.27 110.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.595 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.734 HG22 HD13 ' B' ' 330' ' ' LEU . 0.2 OUTLIER -110.0 154.46 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.577 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . 0.46 HH21 ' HD3' ' B' ' 349' ' ' ARG . 36.9 mtp-105 -89.86 -32.53 16.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.638 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' B' ' 351' ' ' GLY . 10.7 t70 -132.77 -120.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.629 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 25.39 75.78 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . 0.778 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -116.54 178.92 4.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.803 0.335 . . . . 0.0 110.451 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 94.08 -141.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.555 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . 0.459 ' HB3' HD11 ' B' ' 359' ' ' ILE . 11.0 m120 -95.24 62.05 2.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.74 144.61 41.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.39 -55.58 8.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.82 -32.02 67.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.444 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.84 92.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.487 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' B' ' 354' ' ' ASN . 79.7 mt -76.03 -29.53 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.471 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . 0.424 ' SD ' ' OG1' ' B' ' 238' ' ' THR . 5.8 ttt -65.78 -55.58 16.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.501 HG23 ' N ' ' B' ' 362' ' ' ARG . 35.8 m -59.08 -42.58 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.501 ' N ' HG23 ' B' ' 361' ' ' VAL . 5.6 ttm-85 -58.82 -55.39 35.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.02 -30.12 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.519 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . 0.4 HD23 ' O ' ' B' ' 360' ' ' MET . 1.2 mm? -66.82 -31.54 72.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.575 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.52 27.74 19.02 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.61 130.78 22.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.939 0.4 . . . . 0.0 110.639 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.24 124.35 8.96 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.781 2.321 . . . . 0.0 112.167 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 53.8 m -141.75 142.37 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.643 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . 0.483 ' HB ' HG21 ' B' ' 386' ' ' VAL . 0.5 OUTLIER -136.01 146.42 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.608 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.465 ' O ' ' N ' ' B' ' 174' ' ' LEU . 1.7 mtp -134.02 163.16 30.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 93.03 5.56 63.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -58.52 110.57 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.473 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.28 31.74 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.6 tp -119.16 136.46 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.645 ' O ' HG22 ' B' ' 378' ' ' VAL . 3.7 mm100 -75.4 143.62 76.53 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -72.45 -23.05 20.72 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.805 2.337 . . . . 0.0 112.144 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 45.1 t -52.55 -40.27 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . 0.645 HG22 ' O ' ' B' ' 375' ' ' GLN . 28.5 m -77.76 -31.08 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' B' ' 381' ' ' ARG . 72.7 mt -69.75 -37.28 76.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.536 ' O ' ' O ' ' B' ' 185' ' ' GLY . 3.1 t-80 31.84 -84.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.508 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.695 ' N ' ' O ' ' B' ' 379' ' ' LEU . 1.2 ptp85 -143.11 28.16 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.43 170.71 15.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.611 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . 0.664 HG22 ' CD1' ' B' ' 385' ' ' ILE . 77.5 m -75.6 124.41 27.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.63 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.614 HD11 HD11 ' B' ' 393' ' ' LEU . 7.5 tp -124.94 112.39 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.481 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . 0.715 HG22 ' O ' ' B' ' 385' ' ' ILE . 1.8 mp -111.57 90.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.622 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . 0.483 HG21 ' HB ' ' B' ' 369' ' ' VAL . 7.4 p -82.79 156.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.4 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.715 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.3 t0 -136.04 90.0 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.82 -46.63 31.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -50.95 -40.1 56.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.781 0.324 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . 0.476 ' O ' ' HG3' ' B' ' 392' ' ' GLU . 0.5 OUTLIER -114.39 11.57 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.526 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 34.35 46.68 0.54 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' B' ' 390' ' ' ARG . 46.7 mt-10 -112.46 151.45 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.574 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.614 HD11 HD11 ' B' ' 384' ' ' LEU . 4.3 tt -126.32 117.9 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.565 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 79.7 mt -105.76 153.28 22.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.581 ' O ' ' C ' ' B' ' 396' ' ' ASP . 0.0 OUTLIER -126.36 107.44 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.581 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.0 OUTLIER 24.65 55.45 0.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.565 ' HG3' ' HB3' ' B' ' 394' ' ' LEU . 43.6 Cg_endo . . . . . 0 C--N 1.305 -1.732 0 C-N-CA 122.762 2.308 . . . . 0.0 112.068 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.4 p -83.3 158.65 22.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.6 t -132.29 119.87 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -127.28 172.31 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.633 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -162.41 133.49 5.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.5 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' OE1' ' A' ' 62' ' ' GLN . 86.1 m -78.62 129.58 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.712 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.508 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 16.4 m -130.52 123.59 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.424 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 24.1 pt-20 -80.46 128.02 33.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.644 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 mm -91.51 105.72 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.479 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 1.066 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 47.0 p -83.59 56.84 3.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.636 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 1.066 ' OD1' ' C ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 64.66 20.62 12.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -161.38 103.35 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -2.39 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.586 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.678 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 115.11 31.59 2.02 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.678 ' CB ' ' O ' ' A' ' 14' ' ' GLY . 7.9 tpt 94.88 49.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.83 0.348 . . . . 0.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.727 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 21.3 p80 -31.01 91.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 158.49 -31.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.918 ' H ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -109.2 -42.03 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.537 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.918 ' HD2' ' H ' ' A' ' 18' ' ' ARG . 34.1 Cg_endo -67.58 -50.11 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.767 2.311 . . . . 0.0 112.131 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.591 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -63.87 -39.89 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.519 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.647 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -74.56 -42.06 59.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.687 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 17.2 mtpp -59.71 -38.53 81.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.429 HD21 HG11 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -48.82 -46.07 41.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.69 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -56.37 -38.51 71.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -74.19 -33.99 63.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.915 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 68.5 mt -69.99 -38.6 76.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.712 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.857 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 24.0 ttp -60.05 -27.23 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.573 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -87.68 -30.05 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.718 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.79 -27.78 37.15 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.915 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.9 p90 -117.23 138.84 51.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.75 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 16.5 m-20 -80.35 111.7 16.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.454 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 155.64 148.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.73 ' OE1' HD13 ' A' ' 35' ' ' LEU . 5.3 tm-20 -98.32 127.45 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.692 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.539 ' O ' HD12 ' A' ' 35' ' ' LEU . 22.1 t -105.45 134.62 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.487 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.73 HD13 ' OE1' ' A' ' 33' ' ' GLU . 1.1 mp -135.78 136.17 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.878 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.5 mm? -105.34 150.55 25.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.42 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.709 ' O ' HG23 ' A' ' 63' ' ' ILE . 2.9 mtt180 -147.29 134.07 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.828 HD21 ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -91.97 154.61 18.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 42.9 p-10 -51.78 -28.49 15.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.608 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 19.5 mt-10 -67.35 -10.87 55.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.592 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.37 11.3 59.8 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.22 117.35 23.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.702 0.287 . . . . 0.0 110.568 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.55 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -78.28 102.49 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.642 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -88.58 65.75 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -41.21 120.94 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.737 ' HB2' HD21 ' A' ' 36' ' ' LEU . . . -62.67 -10.32 12.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.471 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 54.7 p30 -99.58 27.56 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.6 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -145.52 123.1 11.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.755 HG21 HD23 ' B' ' 248' ' ' LEU . 1.6 m -63.0 -36.74 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.419 HG22 ' CE1' ' B' ' 283' ' ' PHE . 11.6 pt -60.82 -37.08 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.62 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.642 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.07 -43.19 93.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.535 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.591 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 6.3 mp -57.96 -39.02 77.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.62 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.753 ' HG ' HD12 ' B' ' 291' ' ' LEU . 3.8 mp -64.64 -36.45 84.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.1 ttm -68.43 -36.51 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.62 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.532 HD23 ' ND2' ' A' ' 38' ' ' ASN . 67.0 mt -63.37 -34.89 78.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.438 ' OD2' ' HG ' ' B' ' 291' ' ' LEU . 8.1 m-20 -53.6 -34.32 58.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.647 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.515 ' O ' ' CZ ' ' A' ' 61' ' ' ARG . 59.6 p -76.84 -6.96 54.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.58 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.828 ' HB2' HD21 ' A' ' 38' ' ' ASN . . . -82.69 29.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -69.43 96.74 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.44 5.04 37.33 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.515 ' CZ ' ' O ' ' A' ' 57' ' ' SER . 38.9 mtt85 -105.97 165.14 11.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.542 ' OE1' HG23 ' A' ' 6' ' ' THR . 0.5 OUTLIER -96.61 144.86 26.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.709 HG23 ' O ' ' A' ' 37' ' ' ARG . 2.4 mt -131.56 160.49 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.588 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.563 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 8.9 mt-10 -123.85 101.6 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.507 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.785 HG22 HD12 ' A' ' 36' ' ' LEU . 48.1 t -81.35 128.52 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.467 ' OE2' ' C ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -120.3 139.47 52.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.06 131.75 28.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.576 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -122.66 143.95 49.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.66 -175.05 19.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 55.4 Cg_endo -74.13 -37.27 2.77 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.849 2.366 . . . . 0.0 112.058 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.868 ' CD ' ' HB2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -95.83 -0.38 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.723 ' CD ' ' H ' ' A' ' 73' ' ' GLU . 6.0 pm0 -32.16 -42.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.65 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.723 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 29.9 tt0 -58.06 -53.58 56.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.841 ' HB2' ' HG2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -56.58 -50.67 71.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.625 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.82 ' HB2' HE22 ' A' ' 71' ' ' GLN . . . -55.61 -48.73 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.71 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.091 ' O ' HG23 ' A' ' 80' ' ' ILE . 1.8 tt -66.65 -43.24 85.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.61 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.92 ' O ' HG13 ' A' ' 80' ' ' ILE . . . -62.05 -42.67 99.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.752 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.99 97.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.705 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 75' ' ' ALA . 59.5 t -67.43 -42.4 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.091 HG23 ' O ' ' A' ' 76' ' ' LEU . 1.3 pp -65.62 -39.05 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.671 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.532 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -66.45 -35.83 81.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.677 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -73.39 -37.65 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.581 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -73.73 -23.4 59.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.544 ' O ' ' OD1' ' A' ' 84' ' ' ASN . 29.3 t-20 -88.62 -6.7 57.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.1 p . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.627 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 97.5 mt -121.33 137.74 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -88.63 111.65 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -112.54 155.45 24.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' B' ' 370' ' ' MET . 38.6 mt -74.49 115.44 43.57 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . 0.568 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 43.4 Cg_endo -71.4 111.32 3.07 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.785 2.323 . . . . 0.0 112.134 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -98.08 -41.3 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -129.2 100.96 19.71 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.548 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -47.4 143.45 11.35 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.829 2.353 . . . . 0.0 112.087 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 141.79 157.82 7.31 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.62 140.73 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.37 . . . . 0.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' B' ' 344' ' ' VAL . . . -152.5 147.19 25.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . 1.047 ' H ' HD13 ' B' ' 182' ' ' ILE . 0.2 OUTLIER -128.77 139.06 52.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 174.38 176.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.52 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . 0.431 ' OE1' ' CG ' ' B' ' 381' ' ' ARG . 2.1 mt-10 -77.32 159.36 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.423 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.695 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -92.62 142.52 16.04 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -157.57 121.5 4.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.613 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . 0.585 HG23 ' OD1' ' B' ' 204' ' ' ASP . 13.2 t . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.798 0.332 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.46 130.3 23.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.703 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.9 OUTLIER -150.19 49.08 0.59 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.625 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 56.9 Cg_exo -46.92 -33.47 14.49 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.824 2.349 . . . . 0.0 112.093 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -79.19 -61.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . 0.505 HD12 ' OD2' ' B' ' 204' ' ' ASP . 47.6 mt -63.94 -42.13 97.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.703 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 1.5 tp10 -63.29 -61.17 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 33.7 ttp180 -54.23 -46.05 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -66.17 -36.48 83.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.524 ' NH1' ' OE1' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -55.47 -45.1 76.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 3.8 tp -66.35 -51.85 52.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 39.9 p -52.08 -47.85 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.549 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.77 85.31 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . 0.435 ' HB2' HD22 ' B' ' 309' ' ' LEU . . . -74.25 -42.95 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.712 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.5 OUTLIER -58.2 -45.34 87.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.691 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.42 -21.65 64.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.626 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' B' ' 222' ' ' GLU . 1.0 OUTLIER -94.82 -31.89 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.58 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.34 -46.93 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -59.31 -51.37 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -70.07 -28.5 65.48 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.613 ' OE2' ' CD2' ' B' ' 226' ' ' TYR . 1.5 tm-20 -70.33 -43.33 70.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.48 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . 0.627 ' CZ ' ' NH1' ' B' ' 304' ' ' ARG . 0.6 OUTLIER -70.73 -35.93 72.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.406 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' B' ' 228' ' ' LYS . 67.8 mtp180 -63.75 -48.95 74.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.572 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -73.33 -39.38 65.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.466 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.613 ' CD2' ' OE2' ' B' ' 222' ' ' GLU . 4.6 m-30 -52.27 -59.46 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . 0.745 ' OG ' ' HB2' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -67.15 -49.6 64.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' B' ' 224' ' ' ARG . 25.5 tptt -37.79 -54.07 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' B' ' 232' ' ' ALA . 95.6 mtm-85 -63.04 -46.21 88.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.611 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.647 ' O ' ' N ' ' B' ' 234' ' ' ALA . 4.3 m-85 -52.35 -51.91 56.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -54.45 -41.41 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.453 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 229' ' ' ARG . . . -53.62 -17.08 1.88 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -129.04 -23.19 1.17 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.647 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -95.19 -157.32 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.659 ' HG3' ' H ' ' B' ' 237' ' ' GLU . 4.5 pt20 -99.13 177.34 5.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.515 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -61.74 -39.08 90.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.659 ' H ' ' HG3' ' B' ' 235' ' ' GLN . 55.8 tt0 -42.16 -46.49 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.526 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -61.99 2.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -53.95 -40.39 66.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . 0.486 ' HB2' HH11 ' A' ' 18' ' ' ARG . . . -59.49 -37.81 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.637 HD13 ' O ' ' B' ' 237' ' ' GLU . 1.2 mp -60.28 -56.47 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.65 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.745 ' HB2' ' OG ' ' B' ' 227' ' ' SER . 0.0 OUTLIER -53.61 -55.81 22.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.458 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.735 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 65.3 t0 -38.55 -43.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 0.561 HD12 ' O ' ' B' ' 244' ' ' LEU . 12.8 tp -74.81 -38.75 62.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.589 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' B' ' 242' ' ' PHE . 10.7 m-30 -62.5 -53.1 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.527 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . 0.558 ' O ' ' OG ' ' B' ' 250' ' ' SER . 31.1 t -49.61 -46.46 49.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' B' ' 251' ' ' ASP . 1.6 t60 -72.37 -27.56 62.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.581 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.928 HD13 ' C ' ' B' ' 248' ' ' LEU . 2.0 tm? -69.88 -50.72 39.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.643 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.643 ' N ' HD13 ' B' ' 248' ' ' LEU . 3.1 tp -78.93 -42.94 25.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.505 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . 0.558 ' OG ' ' O ' ' B' ' 246' ' ' SER . 51.8 p -70.37 -13.43 62.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.614 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.639 ' HB2' ' O ' ' B' ' 247' ' ' HIS . 66.3 t0 -47.88 116.63 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 80.3 p -54.89 -15.77 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.534 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -49.33 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.645 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.28 -46.69 85.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.68 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.417 HH21 ' HD3' ' B' ' 255' ' ' ARG . 11.0 ttp180 -53.14 -55.59 22.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.696 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -38.32 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.606 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.93 -43.29 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.875 HD21 HG21 ' B' ' 275' ' ' VAL . 3.3 mm? -61.16 -51.45 68.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -60.93 -34.58 74.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.758 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.18 93.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.26 -35.47 81.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.723 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.0 -34.14 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -18.85 28.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.669 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -92.56 -23.06 19.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.576 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.42 13.96 3.73 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 47.5 t -87.86 154.08 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . 0.51 HG12 ' OE2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -100.13 154.02 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.549 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.671 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -59.17 -46.57 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.593 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.524 ' OE1' ' NH1' ' B' ' 211' ' ' ARG . 0.6 OUTLIER -43.15 -54.28 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.515 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -84.92 -34.66 22.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.48 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.782 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -52.55 -51.33 60.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.515 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.671 HG22 ' O ' ' B' ' 268' ' ' ALA . 34.4 m -60.91 -33.31 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -74.28 -49.32 23.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.532 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 20.9 p -59.14 -54.41 47.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.875 HG21 HD21 ' B' ' 258' ' ' LEU . 33.8 m -56.89 -51.78 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.666 ' N ' HG23 ' B' ' 275' ' ' VAL . 10.3 mm -59.27 -44.33 91.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.44 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 88.1 mt-10 -63.77 -42.69 97.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -38.79 91.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -74.2 -35.51 63.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.5 68.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 3.0 mp0 -68.89 -37.69 79.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.71 -40.65 95.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.565 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' B' ' 298' ' ' LEU . 7.9 m-85 -64.06 -44.23 93.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.511 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.25 77.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.614 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -43.89 -32.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.988 HD12 ' OD2' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -63.09 155.16 28.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.479 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . 0.415 ' O ' ' N ' ' B' ' 289' ' ' ASN . 37.2 m -89.87 -36.08 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.713 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.988 ' OD2' HD12 ' B' ' 286' ' ' LEU . 0.6 OUTLIER -50.88 93.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' B' ' 290' ' ' TYR . 0.1 OUTLIER -60.59 -39.31 87.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . 0.499 ' H ' ' ND2' ' B' ' 289' ' ' ASN . 15.2 t80 -58.27 -22.24 51.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.753 HD12 ' HG ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -117.26 -55.97 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.658 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -35.09 -36.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.411 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' B' ' 292' ' ' LYS . 10.9 tm-20 -51.92 -33.46 37.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' B' ' 297' ' ' ASP . 0.9 OUTLIER -38.27 -35.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' B' ' 294' ' ' ARG . . . -35.83 -51.32 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.412 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -55.21 -40.1 73.84 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' B' ' 294' ' ' ARG . 96.5 m-20 -63.39 -47.75 80.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.831 0.348 . . . . 0.0 110.448 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -54.87 -51.06 67.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.355 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -59.96 -41.26 91.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.376 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.792 ' CB ' HG21 ' B' ' 333' ' ' THR . . . -62.53 -39.74 94.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.356 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.87 -42.43 99.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.289 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -54.34 -48.73 63.04 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . 0.575 ' HG2' ' N ' ' B' ' 304' ' ' ARG . 0.5 OUTLIER -55.58 -42.09 74.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.788 0.327 . . . . 0.0 110.358 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.627 ' NH1' ' CZ ' ' B' ' 223' ' ' PHE . 6.4 mmm-85 -65.47 -45.09 85.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.382 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -36.14 82.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.513 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 17.7 tp -67.31 -35.91 80.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . 0.51 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.1 m-85 -64.34 -43.23 95.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 79.2 m-70 -71.93 -29.12 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.514 ' HA ' HD22 ' B' ' 309' ' ' LEU . 0.2 OUTLIER -47.11 -20.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . 0.51 ' OD1' ' O ' ' B' ' 307' ' ' PHE . 0.5 OUTLIER -108.55 115.38 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.404 HH21 ' HD3' ' B' ' 322' ' ' ARG . 3.5 mtt180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.744 0.307 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.671 ' CE2' ' NE ' ' B' ' 342' ' ' ARG . 1.8 p90 -154.98 166.24 34.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.61 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.406 HG13 ' HB3' ' B' ' 183' ' ' ALA . 20.8 mt -119.64 138.32 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.577 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.506 HD23 ' N ' ' B' ' 326' ' ' VAL . 0.9 OUTLIER -83.44 122.1 28.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' B' ' 376' ' ' PRO . 42.1 t -123.14 90.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.62 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.505 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -125.18 147.63 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 18.5 p-10 -65.36 -30.07 70.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -139.89 125.8 19.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' B' ' 330' ' ' LEU . 18.8 tp -73.5 121.78 21.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.545 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 74.0 m -120.97 119.56 32.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.659 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.41 ' H ' ' HB2' ' B' ' 357' ' ' ALA . . . -58.56 -46.59 86.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.792 HG21 ' CB ' ' B' ' 300' ' ' ALA . 3.8 t -56.84 -36.92 70.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.612 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 59.8 m -68.26 -45.61 72.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.669 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.3 OUTLIER -51.86 -36.48 48.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.402 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -63.05 18.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.669 ' H ' ' C ' ' B' ' 335' ' ' LEU . 67.5 mt-10 -110.77 -48.09 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 20.1 mt -100.25 120.59 56.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . 0.521 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 52.3 Cg_exo -47.48 138.83 18.19 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.908 2.405 . . . . 0.0 112.203 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -10.38 50.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.548 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.734 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 12.1 p30 -66.61 -40.04 88.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.435 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.734 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 11.4 ptm180 -86.67 -16.11 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.574 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 37.8 tp -73.68 104.38 4.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 323' ' ' PHE . 33.7 m -120.22 27.99 3.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.505 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 151.87 154.95 6.8 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.409 ' CG2' ' N ' ' B' ' 347' ' ' VAL . 1.5 p -155.33 153.13 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.765 0.316 . . . . 0.0 110.54 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . 0.409 ' N ' ' CG2' ' B' ' 346' ' ' VAL . 12.9 m -148.32 140.27 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.614 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 35.0 m -132.07 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' B' ' 372' ' ' ALA . 6.5 ptm180 -117.99 1.56 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.892 ' O ' ' N ' ' B' ' 352' ' ' ALA . 1.3 t70 -143.38 -48.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -48.56 60.8 0.0 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . 0.892 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -42.08 157.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.546 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . 0.49 ' HB1' HH12 ' B' ' 362' ' ' ARG . . . -70.58 31.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.452 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . 0.559 ' H ' ' C ' ' B' ' 352' ' ' ALA . 16.8 m120 -111.03 -13.42 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 96.5 p -80.1 152.32 29.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.504 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -61.21 -36.16 79.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . 0.41 ' HB2' ' H ' ' B' ' 332' ' ' ALA . . . -61.44 -43.19 99.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . 0.447 ' HA ' HD23 ' B' ' 330' ' ' LEU . . . -60.92 -39.87 91.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.1 mt -67.54 -36.94 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -62.83 -50.6 70.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.457 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.436 HG12 ' N ' ' B' ' 362' ' ' ARG . 0.9 OUTLIER -65.07 -44.0 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.49 HH12 ' HB1' ' B' ' 353' ' ' ALA . 6.9 ttm-85 -58.09 -45.53 87.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.402 ' HB3' ' OE1' ' B' ' 235' ' ' GLN . . . -69.61 -23.79 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' B' ' 364' ' ' LEU . 32.8 tp -69.75 -29.41 66.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.478 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 95.09 28.8 9.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . 0.414 HG13 HD23 ' B' ' 364' ' ' LEU . 41.5 mm -106.7 127.37 28.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.892 0.377 . . . . 0.0 110.644 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.26 125.29 10.26 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.934 2.423 . . . . 0.0 112.166 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . 0.406 HG23 HG13 ' B' ' 346' ' ' VAL . 8.1 m -141.44 134.41 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.62 152.57 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.629 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 1.7 tmm? -135.0 153.25 52.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 96.31 -7.26 66.38 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' B' ' 349' ' ' ARG . . . -49.28 109.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.303 . . . . 0.0 110.57 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 60.1 p30 -104.37 25.85 9.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.535 ' O ' HG23 ' B' ' 374' ' ' ILE . 10.5 tp -101.39 124.8 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.714 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -69.29 124.64 90.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . 0.558 ' HB3' HG11 ' B' ' 326' ' ' VAL . 51.4 Cg_endo -73.16 -7.99 21.38 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.842 2.361 . . . . 0.0 112.09 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 40.3 t -64.28 -35.92 82.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.511 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 58.2 t -82.07 -41.16 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.453 ' CA ' ' HB2' ' B' ' 382' ' ' ARG . 10.2 mp -78.85 -74.29 0.29 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.609 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.695 ' O ' ' O ' ' B' ' 185' ' ' GLY . 1.8 m-70 59.77 -104.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.599 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.431 ' CG ' ' OE1' ' B' ' 184' ' ' GLU . 32.4 ttt180 -78.35 -0.37 28.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.49 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . 0.453 ' HB2' ' CA ' ' B' ' 379' ' ' LEU . 1.7 mtt-85 -64.61 163.15 14.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.491 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.28 127.93 34.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.542 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.417 ' HG ' HD23 ' B' ' 379' ' ' LEU . 0.6 OUTLIER -130.13 109.06 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.439 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . 0.69 HG23 HG22 ' B' ' 182' ' ' ILE . 4.8 mp -100.97 110.95 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 1.5 p -97.4 146.16 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.395 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.69 ' O ' ' N ' ' B' ' 391' ' ' GLY . 66.4 t0 -135.1 82.07 1.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . 0.568 ' O ' ' HB3' ' B' ' 175' ' ' PRO . . . -47.74 -48.0 23.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' B' ' 388' ' ' GLY . 27.2 t80 -39.52 -52.55 2.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.26 8.25 19.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.521 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 41.79 55.06 4.11 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.66 152.76 36.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.476 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 90.3 mt -121.48 125.77 47.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 16.1 mt -112.49 150.69 30.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 1.016 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 12.0 t -118.76 102.87 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.614 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.68 ' C ' ' O ' ' B' ' 395' ' ' VAL . 35.8 p-10 5.29 54.18 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.537 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 1.016 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 50.4 Cg_exo . . . . . 0 C--N 1.305 -1.748 0 C-N-CA 122.801 2.334 . . . . 0.0 112.072 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.716 HG23 HG23 ' A' ' 68' ' ' THR . 0.1 OUTLIER -82.43 158.04 23.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -132.61 118.86 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 171.17 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -160.02 133.72 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.1 p -79.63 129.12 34.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.4 p -130.1 125.08 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 8' ' ' GLU . 1.4 pm0 -81.88 125.44 30.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.66 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.105 HG21 ' O ' ' A' ' 58' ' ' ALA . 17.8 tt -88.53 105.56 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.611 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.1 p -82.67 57.01 3.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.448 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.4 m120 63.57 23.19 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.4 103.3 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.977 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -66.85 -0.98 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.637 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.9 -76.61 0.26 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.456 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 30.8 mmm -134.03 -163.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.497 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.75 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -55.47 -23.95 28.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 154.57 0.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.533 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.595 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 21.2 mtt-85 -54.47 -45.62 99.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 50.8 Cg_exo -48.41 -49.75 13.76 Favored 'Trans proline' 0 C--N 1.303 -1.831 0 C-N-CA 122.916 2.411 . . . . 0.0 112.102 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.57 89.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.684 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -68.5 -42.56 78.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.684 ' N ' ' HG3' ' A' ' 21' ' ' MET . 7.0 tttp -63.44 -36.69 84.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD11 HG23 ' A' ' 79' ' ' VAL . 1.3 mp -49.37 -44.43 44.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 13.1 m-85 -58.24 -37.66 75.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -75.2 -34.62 61.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.606 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.889 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 4.0 mm? -68.32 -39.97 81.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.834 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 64.4 ttp -59.2 -28.34 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -86.53 -28.91 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.637 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.43 -25.62 38.84 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.8 p90 -119.04 138.02 53.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.733 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.4 m-20 -80.03 109.64 14.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.609 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.759 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 157.75 149.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.569 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 34' ' ' VAL . 9.4 tp10 -99.58 126.52 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' N ' ' OE2' ' A' ' 33' ' ' GLU . 40.8 t -104.0 134.94 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.497 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -136.15 136.53 40.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 46' ' ' ALA . 2.2 mp -107.89 149.61 28.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -147.31 134.67 20.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.714 HD21 HD12 ' A' ' 55' ' ' LEU . 6.3 m120 -91.03 155.91 18.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.76 -27.04 16.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 85.7 tt0 -68.5 -9.79 51.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.582 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.07 12.26 60.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.3 m -85.45 116.69 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.659 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 32.3 mp0 -77.59 103.63 7.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.633 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.67 65.24 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.582 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -40.78 121.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.519 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.572 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.66 -9.19 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -100.02 26.77 6.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.641 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 124.93 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.465 ' H ' HG23 ' A' ' 49' ' ' VAL . 2.3 t -64.78 -35.43 75.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.788 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -61.58 -35.63 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.615 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.633 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.02 -41.38 86.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.488 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 57.4 tp -59.39 -38.19 79.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.576 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.788 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -65.94 -34.85 79.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.483 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 2.1 tmt? -69.93 -35.54 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.63 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.714 HD12 HD21 ' A' ' 38' ' ' ASN . 26.9 tp -64.16 -35.54 81.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.611 ' OD2' HD23 ' B' ' 291' ' ' LEU . 5.2 m-20 -52.93 -35.24 58.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.2 m -76.22 -6.28 50.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.105 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -83.28 28.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -68.57 97.85 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.932 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 105.02 5.08 41.38 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 1.03 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -105.91 164.18 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.516 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -97.95 142.48 29.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.66 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -130.12 162.12 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.439 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.66 ' N ' HG13 ' A' ' 63' ' ' ILE . 99.1 mt-10 -123.4 102.31 7.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.546 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.17 127.38 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.557 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -120.1 139.78 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.616 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.47 ' HB2' HD23 ' A' ' 76' ' ' LEU . . . -137.99 131.83 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.716 HG23 HG23 ' A' ' 2' ' ' THR . 0.3 OUTLIER -124.34 128.7 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.83 161.49 8.77 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.0 -45.64 20.61 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.798 2.332 . . . . 0.0 112.117 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' GLU . 28.9 mm-40 -92.57 5.74 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 17.0 pt-20 -36.98 -37.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -64.5 -48.67 74.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.496 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -57.54 -52.08 66.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.83 -50.22 69.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.599 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.947 ' O ' HG12 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -64.14 -43.95 93.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.91 ' O ' HG13 ' A' ' 80' ' ' ILE . . . -62.58 -41.87 99.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.52 98.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.947 HG12 ' O ' ' A' ' 76' ' ' LEU . 3.4 p -65.99 -44.29 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.572 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.91 HG13 ' O ' ' A' ' 77' ' ' ALA . 1.6 pp -63.33 -41.55 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.91 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -73.6 -36.51 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.603 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.4 m-85 -69.37 -33.32 72.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.55 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.464 ' OD1' ' O ' ' A' ' 80' ' ' ILE . 18.4 m120 -82.18 -5.7 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.53 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 393' ' ' LEU . 5.9 tpm_? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 96.4 mt -122.89 130.35 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.601 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -76.09 136.81 39.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.476 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -141.33 156.9 45.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.697 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.23 114.12 28.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.81 107.35 2.32 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . 0.457 ' HB1' ' NH2' ' B' ' 362' ' ' ARG . . . -85.17 -39.67 17.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.478 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . 0.518 ' HB3' ' H ' ' B' ' 368' ' ' THR . . . -139.48 133.97 16.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.05 141.91 37.34 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.779 2.32 . . . . 0.0 112.259 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 139.4 160.74 8.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.29 137.46 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.513 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -145.23 146.81 31.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.53 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 26.7 pt -132.88 134.07 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.572 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 177.48 172.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . 0.958 ' O ' HG22 ' B' ' 324' ' ' ILE . 2.5 mp0 -72.73 162.48 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.588 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -93.01 134.45 12.18 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -120.09 102.55 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.544 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . 0.549 ' H ' ' CD ' ' B' ' 187' ' ' GLN . 2.5 pm0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.866 0.365 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 0.853 HD23 ' N ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -100.29 153.36 19.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.911 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.1 OUTLIER -155.64 104.25 2.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -71.53 -17.11 30.37 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.869 2.379 . . . . 0.0 112.036 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -100.5 -49.1 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . 0.482 ' O ' ' CG ' ' B' ' 211' ' ' ARG . 1.0 OUTLIER -74.6 -31.3 61.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.455 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.911 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 65.3 mm-40 -75.86 -62.27 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . 0.48 ' CG ' ' CD1' ' B' ' 259' ' ' PHE . 0.0 OUTLIER -49.75 -55.71 12.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.449 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' B' ' 206' ' ' ALA . 70.4 mt-10 -57.55 -43.74 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.373 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.581 ' NH1' ' OE2' ' B' ' 269' ' ' GLU . 10.6 mtp180 -52.38 -40.13 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' B' ' 258' ' ' LEU . 1.1 mp -63.7 -48.31 77.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 62.1 m -56.41 -47.43 79.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.314 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.33 -38.69 96.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.81 -43.94 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.461 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.64 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.9 tt -60.32 -46.9 88.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.509 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.45 -32.5 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 222' ' ' GLU . 19.0 tp10 -79.67 -31.47 41.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.61 -45.88 8.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.64 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.17 -51.01 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.564 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -19.38 63.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.497 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.6 OUTLIER -66.6 -52.03 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.434 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . 0.81 ' CD1' ' N ' ' B' ' 224' ' ' ARG . 1.6 p90 -68.0 -40.0 83.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . 0.81 ' N ' ' CD1' ' B' ' 223' ' ' PHE . 10.4 ttp-105 -52.54 -50.07 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -74.41 -32.02 62.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.713 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.4 OUTLIER -62.57 -62.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.508 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . 0.724 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 90.1 p -55.54 -52.59 63.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.584 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -43.39 -37.11 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . 0.413 ' NH2' ' HB3' ' B' ' 229' ' ' ARG . 0.6 OUTLIER -68.93 -38.55 79.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 227' ' ' SER . 7.3 m-85 -66.51 -43.79 84.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.589 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -53.32 -37.48 62.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.557 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.35 -9.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.508 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . 0.975 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -165.9 -97.37 0.11 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.975 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . 8.15 -145.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 110.591 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.456 ' O ' ' OG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -107.4 151.61 25.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -62.24 -27.83 69.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -57.91 -45.36 86.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 38.6 p -52.89 -51.46 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -54.51 -41.07 69.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.69 -41.17 85.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.507 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' B' ' 241' ' ' ILE . 41.1 mm -61.63 -47.45 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.613 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.783 ' C ' ' CD1' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -56.9 -53.04 62.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.605 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.616 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 2.4 t0 -45.73 -44.51 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 0.558 ' O ' ' HG ' ' B' ' 248' ' ' LEU . 0.4 OUTLIER -75.96 -33.42 59.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.638 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.543 ' CE2' HD12 ' B' ' 249' ' ' LEU . 17.2 t80 -60.37 -41.46 93.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . 0.513 ' O ' ' OG ' ' B' ' 250' ' ' SER . 3.1 m -57.15 -41.34 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.782 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 4.9 m-70 -61.56 -30.89 70.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.537 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.615 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 5.8 mt -74.79 -55.18 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.527 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.543 HD12 ' CE2' ' B' ' 245' ' ' TYR . 2.9 mt -69.82 -42.97 72.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . 0.513 ' OG ' ' O ' ' B' ' 246' ' ' SER . 51.7 p -71.92 -18.02 62.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.913 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -55.85 108.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 1.6 m -57.78 -1.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.776 ' O ' ' HG3' ' B' ' 256' ' ' ARG . 0.0 OUTLIER -75.17 -39.66 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . 0.637 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 1.3 tp -67.73 -46.02 73.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.639 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -57.48 -48.22 79.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.677 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . 0.776 ' HG3' ' O ' ' B' ' 253' ' ' ARG . 5.4 ppt_? -66.82 -39.35 87.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' B' ' 256' ' ' ARG . 19.8 mm-40 -59.79 -51.78 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.586 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.503 ' CB ' HD21 ' B' ' 212' ' ' LEU . 4.8 mt -60.84 -47.63 85.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . 0.48 ' CD1' ' CG ' ' B' ' 209' ' ' ARG . 51.6 t80 -59.09 -36.04 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.11 84.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.649 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.54 -38.92 91.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.544 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.77 -42.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -13.44 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.552 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -24.17 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . 0.763 ' HA2' HD13 ' B' ' 203' ' ' LEU . . . 122.17 26.44 1.85 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 21.3 t -103.98 159.94 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.568 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 2.2 t -98.7 149.17 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.594 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.499 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -54.4 -45.53 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.581 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.581 ' OE2' ' NH1' ' B' ' 211' ' ' ARG . 19.4 mp0 -46.39 -43.9 16.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . 0.638 ' O ' ' HG3' ' B' ' 273' ' ' LYS . 2.8 m95 -86.19 -28.19 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -65.64 -46.91 77.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.517 HG23 ' N ' ' B' ' 273' ' ' LYS . 30.2 m -59.44 -42.64 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' B' ' 270' ' ' TRP . 0.0 OUTLIER -79.01 -44.18 22.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.595 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . 0.567 ' H ' ' HG3' ' B' ' 273' ' ' LYS . 76.4 m -59.77 -56.49 21.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.41 HG21 ' HA ' ' B' ' 258' ' ' LEU . 59.5 t -57.6 -49.06 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.573 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' B' ' 272' ' ' VAL . 7.3 mm -58.15 -42.74 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.508 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.429 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 35.6 mm-40 -63.66 -36.69 84.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . 0.411 ' CB ' ' NZ ' ' B' ' 278' ' ' LYS . 0.0 OUTLIER -64.31 -39.82 94.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . 0.673 ' CD2' ' NE2' ' B' ' 282' ' ' GLN . 9.0 m-85 -79.39 -26.53 41.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.93 80.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.57 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 3.0 mp0 -77.68 -43.17 32.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . 0.673 ' NE2' ' CD2' ' B' ' 279' ' ' PHE . 3.9 pt20 -59.26 -29.86 67.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.474 ' CE2' ' HB3' ' B' ' 294' ' ' ARG . 0.2 OUTLIER -81.05 -34.1 33.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.587 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . 0.503 ' O ' ' NZ ' ' B' ' 292' ' ' LYS . . . -63.05 -37.34 86.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.446 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -52.0 -26.68 11.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 1.069 HD23 ' N ' ' B' ' 287' ' ' SER . 2.8 tt -47.82 132.82 14.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . 1.069 ' N ' HD23 ' B' ' 286' ' ' LEU . 96.8 p -82.24 -46.15 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.534 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.76 ' O ' HD22 ' B' ' 286' ' ' LEU . 0.0 OUTLIER -65.39 131.77 47.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.525 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' B' ' 292' ' ' LYS . 0.0 OUTLIER -82.04 -20.41 38.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . 0.495 ' CB ' ' OD2' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -59.54 -34.1 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.611 HD23 ' OD2' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -109.34 -37.59 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.612 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.718 ' N ' HD13 ' B' ' 286' ' ' LEU . 13.3 tttp -44.53 -42.9 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -29.03 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.45 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.481 ' NH2' HD11 ' B' ' 248' ' ' LEU . 2.2 ttm-85 -46.1 -33.98 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -44.57 -48.91 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.73 -42.44 28.44 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -66.63 -40.05 88.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.82 0.343 . . . . 0.0 110.442 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' B' ' 301' ' ' LEU . 0.1 OUTLIER -61.2 -56.08 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.462 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 49.8 ttp85 -53.63 -42.87 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.299 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -65.3 -36.92 85.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.512 HD13 ' OH ' ' B' ' 245' ' ' TYR . 14.5 tp -56.95 -44.06 82.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.393 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.6 -40.53 98.75 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -41.47 98.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.667 ' O ' ' ND1' ' B' ' 308' ' ' HIS . 1.6 mtp180 -67.18 -40.74 86.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.342 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -35.11 70.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.299 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.0 tp -66.59 -42.33 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.358 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -66.36 -40.83 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . 0.667 ' ND1' ' O ' ' B' ' 304' ' ' ARG . 34.1 m170 -67.45 -25.56 65.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -5.5 42.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -133.71 83.07 2.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.548 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.664 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 38.0 ttt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.83 0.348 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.73 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 0.6 OUTLIER -179.1 160.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.561 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.958 HG22 ' O ' ' B' ' 184' ' ' GLU . 1.3 tt -111.52 147.01 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' B' ' 325' ' ' LEU . 22.9 tp -84.44 133.74 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.56 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 2.1 t -134.24 92.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -122.87 154.49 38.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.613 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 27.4 p-10 -61.93 -25.31 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.551 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.476 ' OE2' ' OG ' ' B' ' 331' ' ' SER . 2.8 pp20? -153.27 124.86 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.558 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.11 121.34 11.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . 0.476 ' OG ' ' OE2' ' B' ' 329' ' ' GLU . 2.5 m -120.28 128.58 53.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.7 82.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 10.1 p -62.77 -37.2 85.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.503 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 98.4 m -59.95 -51.34 70.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.513 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.503 HD11 HD22 ' B' ' 343' ' ' LEU . 3.0 tp -61.52 -30.84 70.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.548 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . 0.713 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -70.21 7.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.524 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' B' ' 335' ' ' LEU . 3.5 mm-40 -105.67 -30.5 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.45 121.66 33.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.36 149.43 4.21 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.848 2.366 . . . . 0.0 112.178 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . 0.454 ' OE1' HD23 ' B' ' 343' ' ' LEU . 2.3 tp-100 -65.1 -21.5 66.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.541 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.1 -42.76 99.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.633 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -76.7 -23.38 53.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.503 HD22 HD11 ' B' ' 335' ' ' LEU . 25.1 tp -73.53 113.69 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.541 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.537 HG12 ' O ' ' B' ' 344' ' ' VAL . 39.5 t -120.43 -0.65 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -178.52 166.25 36.0 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.484 ' HB ' HG23 ' B' ' 368' ' ' THR . 0.0 OUTLIER -146.8 142.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.339 . . . . 0.0 110.554 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' B' ' 386' ' ' VAL . 7.0 t -153.63 131.6 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 1.4 m -133.32 158.31 42.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.601 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 -89.99 -36.52 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' B' ' 351' ' ' GLY . 61.9 t0 -62.43 137.1 58.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.651 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.413 ' N ' ' OD1' ' B' ' 350' ' ' ASP . . . -89.23 50.32 3.61 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -109.5 110.59 21.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.718 0.294 . . . . 0.0 110.589 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -109.51 3.06 20.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -99.82 3.63 44.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.94 147.48 46.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -53.43 -38.85 63.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.548 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.22 86.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.02 -41.47 78.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.401 HD12 ' N ' ' B' ' 359' ' ' ILE . 1.6 mp -77.06 -26.69 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 2.7 ttm -67.12 -50.91 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.513 HG23 ' N ' ' B' ' 362' ' ' ARG . 28.2 m -63.39 -42.37 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.513 ' N ' HG23 ' B' ' 361' ' ' VAL . 4.9 ttm-85 -61.27 -46.24 91.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.68 66.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.541 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' B' ' 364' ' ' LEU . 7.1 mt -67.71 -28.24 67.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.53 17.44 39.1 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . 0.768 HG23 ' HD2' ' B' ' 367' ' ' PRO . 68.3 mt -98.89 145.45 29.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.943 0.401 . . . . 0.0 110.518 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . 0.768 ' HD2' HG23 ' B' ' 366' ' ' ILE . 49.5 Cg_endo -72.84 128.16 12.99 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.892 2.395 . . . . 0.0 112.026 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . 0.518 ' H ' ' HB3' ' B' ' 177' ' ' ALA . 99.6 m -140.0 151.26 45.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.503 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.08 151.1 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.459 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 59.6 mtt -133.82 164.33 27.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 91.55 2.61 69.9 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -57.04 108.86 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.607 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.15 60.34 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 17.0 tt -148.59 138.07 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.579 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.57 ' N ' ' OE1' ' B' ' 375' ' ' GLN . 0.7 OUTLIER -66.11 135.12 95.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.576 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.93 -24.49 17.53 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.768 2.312 . . . . 0.0 112.07 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 59.7 p -66.53 -21.71 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . 0.483 HG12 ' O ' ' B' ' 378' ' ' VAL . 4.9 t -100.83 16.59 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.554 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.602 ' HA ' ' HB2' ' B' ' 382' ' ' ARG . 86.5 mt -121.64 2.25 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.682 ' O ' ' O ' ' B' ' 185' ' ' GLY . 48.2 t60 -36.44 -93.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.663 ' H ' ' HD3' ' B' ' 381' ' ' ARG . 0.0 OUTLIER -78.96 -13.83 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . 0.602 ' HB2' ' HA ' ' B' ' 379' ' ' LEU . 0.4 OUTLIER -52.86 140.91 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.608 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 39.3 m -69.96 130.21 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.588 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.3 122.9 48.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . 0.554 ' CD1' ' HD2' ' B' ' 397' ' ' PRO . 18.5 mt -124.55 105.11 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' B' ' 347' ' ' VAL . 6.1 m -108.85 155.91 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.539 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.4 t0 -145.29 93.71 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -58.19 -37.05 85.3 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . 0.437 ' HB2' ' OD1' ' B' ' 387' ' ' ASP . 12.2 m-85 -55.6 -48.15 75.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.512 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -95.01 -14.74 24.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.594 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 58.22 59.34 10.98 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.52 164.81 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 0.0 110.713 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 170' ' ' ARG . 21.2 tp -124.09 126.19 45.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.607 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.704 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 4.7 mt -116.16 159.64 21.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.643 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.671 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 28.9 m -132.43 117.59 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.575 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.569 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.0 OUTLIER 25.82 51.96 0.27 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.547 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.704 ' HG3' ' HB3' ' B' ' 394' ' ' LEU . 48.8 Cg_endo . . . . . 0 C--N 1.305 -1.747 0 C-N-CA 122.865 2.377 . . . . 0.0 112.138 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.7 p -83.15 159.32 22.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.431 ' O ' HD12 ' A' ' 76' ' ' LEU . 85.4 t -133.55 118.06 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.534 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -124.99 172.96 8.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.718 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -160.57 134.74 7.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 6' ' ' THR . 14.0 t -81.64 126.86 32.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.652 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 7' ' ' VAL . 16.9 m -128.24 125.7 64.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.589 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -82.31 126.5 32.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.59 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.19 HG22 ' O ' ' A' ' 61' ' ' ARG . 19.9 tt -89.28 104.61 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.767 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.2 p -81.75 53.9 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.527 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.24 23.93 12.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -163.65 99.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.986 ' HA ' ' CZ ' ' A' ' 83' ' ' PHE . 2.3 tt -62.38 -7.65 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.75 -42.47 1.02 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.8 tpp -170.55 -172.2 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.727 0.299 . . . . 0.0 110.572 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -50.81 -48.81 59.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' H ' ' H ' ' A' ' 18' ' ' ARG . . . -175.76 0.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.489 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.514 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 1.2 mpt_? -50.72 -56.88 15.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.516 ' O ' HD13 ' A' ' 23' ' ' LEU . 53.7 Cg_exo -47.15 -53.38 6.43 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.771 2.314 . . . . 0.0 112.165 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.49 96.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.541 ' SD ' HD12 ' B' ' 244' ' ' LEU . 0.6 OUTLIER -66.36 -42.48 87.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.443 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -62.95 -37.37 86.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.056 HD11 HG22 ' A' ' 79' ' ' VAL . 1.7 mp -49.39 -44.93 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.449 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE2' ' NE2' ' B' ' 247' ' ' HIS . 0.2 OUTLIER -57.01 -40.47 76.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -72.78 -35.19 67.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.49 -44.37 82.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.593 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -55.12 -31.67 61.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.428 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.593 ' N ' ' HG3' ' A' ' 27' ' ' MET . 24.9 mt-30 -81.97 -30.31 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.39 -30.24 31.01 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.91 152.76 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 110.554 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.764 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -95.49 94.84 8.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.602 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 167.84 156.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.601 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -101.52 129.32 47.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.441 ' O ' HD23 ' A' ' 35' ' ' LEU . 79.7 t -106.77 133.86 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.544 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 34' ' ' VAL . 63.4 mt -134.38 139.32 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.534 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 15.4 mt -109.45 149.48 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.584 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 1.073 ' O ' HG23 ' A' ' 63' ' ' ILE . 12.0 mtt-85 -145.84 136.79 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.654 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -94.28 154.61 17.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.24 -28.37 11.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.522 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -67.97 -11.31 58.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.69 11.25 59.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -84.02 117.4 23.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.758 0.313 . . . . 0.0 110.591 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.526 ' HG2' HH21 ' A' ' 37' ' ' ARG . 3.6 tm-20 -78.11 103.73 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.635 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.76 64.98 6.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 2.8 mt-10 -40.39 121.21 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -10.03 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.75 27.94 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.629 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -145.84 123.5 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.748 ' O ' HD13 ' A' ' 53' ' ' LEU . 4.1 t -63.72 -36.25 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.491 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 50' ' ' ILE . 4.1 tt -61.25 -35.98 69.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.508 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.635 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.56 -42.93 86.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.575 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.46 -38.51 77.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.748 HD13 ' O ' ' A' ' 49' ' ' VAL . 9.3 mp -65.04 -35.73 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -36.68 78.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.593 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -63.16 -35.13 79.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.547 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -53.1 -34.78 58.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.475 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.0 -5.89 50.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.067 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -83.76 29.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.581 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 9.8 pttt -69.66 97.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.86 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 105.6 6.02 38.66 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 1.19 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -107.08 163.99 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.729 0.3 . . . . 0.0 110.555 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -95.89 144.85 25.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.67 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.073 HG23 ' O ' ' A' ' 37' ' ' ARG . 2.4 mp -131.73 160.11 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.507 ' N ' HG22 ' A' ' 63' ' ' ILE . 99.9 mt-10 -122.75 100.64 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.436 HG13 ' CD2' ' A' ' 36' ' ' LEU . 35.9 t -81.5 128.13 38.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.489 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.638 ' CD ' HH11 ' A' ' 37' ' ' ARG . 30.5 tt0 -120.93 140.54 51.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.608 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.75 130.68 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.676 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 6.0 t -121.27 140.32 52.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.8 -177.66 18.91 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.764 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.5 Cg_endo -71.53 -37.82 5.11 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.812 2.341 . . . . 0.0 112.134 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 72' ' ' GLU . 6.1 mm100 -97.68 4.16 50.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 71' ' ' GLN . 20.6 pt-20 -36.85 -40.34 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.72 -50.47 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.554 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 71' ' ' GLN . 26.3 tp10 -57.78 -51.71 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.552 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.813 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.54 -49.62 72.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -64.79 -44.05 91.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.522 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.2 99.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.43 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.7 98.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.056 HG22 HD11 ' A' ' 23' ' ' LEU . 26.2 t -65.96 -43.34 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.47 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.6 mt -63.97 -42.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.22 -37.89 87.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.301 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.06 -35.02 66.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.378 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.986 ' CZ ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -71.94 -30.13 65.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.453 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 85' ' ' SER . 98.3 m-20 -85.83 -3.43 58.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.9 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.51 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 5.3 ptm85 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 81.1 mt -98.4 124.07 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -77.05 112.81 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -120.61 157.21 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.585 ' CD2' ' N ' ' B' ' 174' ' ' LEU . 3.2 mm? -67.69 112.76 11.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -73.3 108.09 2.53 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.765 2.31 . . . . 0.0 112.202 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . 0.905 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -83.41 -51.26 7.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -125.11 136.63 28.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.454 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.19 144.24 41.45 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.834 2.356 . . . . 0.0 112.129 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 135.32 167.34 11.31 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 33.2 m -128.88 148.99 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.946 0.403 . . . . 0.0 110.493 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -156.58 153.24 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 25.2 pt -130.77 135.05 61.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.565 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.488 ' HB3' HG23 ' B' ' 324' ' ' ILE . . . 179.71 176.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . 0.585 ' O ' HG12 ' B' ' 324' ' ' ILE . 4.3 pt-20 -82.79 165.79 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.616 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.625 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.3 138.94 14.18 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -146.71 135.42 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.577 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . 0.563 ' O ' ' OD2' ' B' ' 204' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.791 0.329 . . . . 0.0 110.515 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 0.752 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 1.2 pp -56.65 129.84 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 1.006 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 1.1 m-20 -155.84 67.71 4.83 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.423 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 39.0 Cg_endo -70.26 -46.62 0.96 Allowed 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.842 2.361 . . . . 0.0 112.21 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -60.34 -49.25 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 56.2 mt -79.28 -40.15 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.442 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 1.006 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 5.3 tp10 -67.86 -56.8 7.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . 0.556 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 53.3 ttt85 -45.37 -49.11 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . 0.419 ' O ' ' OE1' ' B' ' 210' ' ' GLU . 0.1 OUTLIER -70.91 -36.46 72.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.373 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.62 HH12 ' CD ' ' B' ' 269' ' ' GLU . 9.8 ttt-85 -57.48 -47.1 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.395 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.771 HD13 ' C ' ' B' ' 212' ' ' LEU . 3.5 tm? -67.98 -52.14 39.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.41 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . 0.445 ' O ' ' OE1' ' B' ' 217' ' ' GLU . 85.8 m -55.68 -51.96 65.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.501 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -57.58 -37.76 84.34 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -70.35 -46.09 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 110.422 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.835 ' C ' HD12 ' B' ' 216' ' ' LEU . 0.2 OUTLIER -60.49 -48.04 83.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.396 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.797 ' N ' ' HG ' ' B' ' 216' ' ' LEU . 0.4 OUTLIER -60.72 -37.02 80.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.353 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.76 -33.45 72.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.463 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -87.74 -45.7 10.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -55.68 -51.56 66.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.504 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 87.7 m-20 -63.18 -35.54 80.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.455 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' B' ' 226' ' ' TYR . 1.1 tt0 -70.96 -35.89 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.604 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . 0.658 ' CD1' ' NH1' ' B' ' 304' ' ' ARG . 0.7 OUTLIER -76.08 -41.91 49.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.426 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . 0.458 HH21 ' HD2' ' B' ' 224' ' ' ARG . 4.5 ttm105 -52.13 -54.94 24.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.518 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . 0.43 ' NH1' ' HG3' ' B' ' 222' ' ' GLU . 1.6 ptt180 -68.17 -24.29 64.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.519 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' B' ' 222' ' ' GLU . 0.1 OUTLIER -66.61 -55.77 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.446 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . 0.678 ' OG ' ' HB3' ' B' ' 242' ' ' PHE . 75.0 m -57.08 -50.21 73.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.446 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -51.08 -41.38 59.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -71.81 -34.67 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.437 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -68.86 -42.28 77.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.45 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . 0.656 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -58.73 -37.45 76.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.92 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -116.09 20.36 12.89 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -135.85 -136.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.877 0.37 . . . . 0.0 110.587 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.545 ' O ' ' OG1' ' B' ' 238' ' ' THR . 19.1 pm0 -129.22 169.5 14.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -26.19 68.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.94 -41.58 92.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.545 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 1.8 p -63.66 -59.37 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.639 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . 0.656 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -51.05 -45.55 61.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.91 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 6.8 mm -66.62 -59.76 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.678 ' HB3' ' OG ' ' B' ' 227' ' ' SER . 33.5 m-85 -58.26 -60.43 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' B' ' 242' ' ' PHE . 64.7 t0 -34.35 -41.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.538 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 0.95 HD23 ' C ' ' B' ' 244' ' ' LEU . 1.3 tt -69.94 -40.04 75.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.559 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.724 ' N ' HD23 ' B' ' 244' ' ' LEU . 0.9 OUTLIER -68.74 -43.29 76.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.469 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 73.1 m -49.47 -45.09 46.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.521 ' NE2' ' CE2' ' A' ' 24' ' ' PHE . 13.0 t60 -70.22 -22.21 62.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.596 HD23 ' C ' ' B' ' 248' ' ' LEU . 8.3 tt -69.55 -47.91 62.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.592 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.34 -44.19 84.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 88.1 p -75.2 -12.11 60.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.474 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' B' ' 253' ' ' ARG . 61.1 t0 -55.94 121.21 8.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.483 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 62.1 p -58.55 -2.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.752 ' HE ' ' N ' ' B' ' 254' ' ' LEU . 1.5 tmm_? -80.79 -47.23 14.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . 0.752 ' N ' ' HE ' ' B' ' 253' ' ' ARG . 12.0 tp -69.01 -37.29 78.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.441 HH12 ' NH2' ' B' ' 209' ' ' ARG . 3.3 ttp85 -68.07 -44.94 75.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.654 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.44 -47.69 78.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.792 ' OE2' ' CE1' ' B' ' 279' ' ' PHE . 3.4 tt0 -57.01 -52.06 66.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.767 HD13 ' C ' ' B' ' 258' ' ' LEU . 3.1 tm? -53.85 -58.25 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . 0.487 ' N ' HD13 ' B' ' 258' ' ' LEU . 63.0 t80 -53.87 -33.73 57.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -60.49 -41.0 93.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.629 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -43.41 92.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.06 -36.95 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.446 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.09 -12.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.489 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -99.36 -19.82 16.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 123.92 10.12 5.41 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 46.4 m -83.15 154.98 24.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.615 0.245 . . . . 0.0 110.632 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . 0.629 ' O ' ' CB ' ' B' ' 271' ' ' ALA . 3.1 t -97.92 148.14 6.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' B' ' 272' ' ' VAL . . . -54.1 -51.59 63.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.62 ' CD ' HH12 ' B' ' 211' ' ' ARG . 1.9 mm-40 -40.06 -67.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.664 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . 0.685 ' CZ2' ' OG1' ' B' ' 274' ' ' THR . 5.2 t-105 -73.82 -42.94 60.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.629 ' CB ' ' O ' ' B' ' 267' ' ' VAL . . . -54.28 -53.91 47.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.556 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' B' ' 268' ' ' ALA . 53.4 t -56.21 -33.7 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 0.0 OUTLIER -72.84 -30.53 64.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.506 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . 0.685 ' OG1' ' CZ2' ' B' ' 270' ' ' TRP . 15.0 m -72.57 -57.32 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.818 HG13 ' H ' ' B' ' 276' ' ' ILE . 5.5 p -48.28 -60.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.601 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.818 ' H ' HG13 ' B' ' 275' ' ' VAL . 1.9 pp -53.79 -38.04 34.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' B' ' 281' ' ' GLU . 2.5 mm-40 -71.15 -36.6 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.499 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' B' ' 278' ' ' LYS . 3.2 mtmp? -66.34 -38.35 87.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . 0.792 ' CE1' ' OE2' ' B' ' 257' ' ' GLU . 20.7 m-85 -74.17 -27.87 61.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.574 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.76 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.519 ' OE2' ' O ' ' B' ' 277' ' ' GLU . 0.4 OUTLIER -77.93 -39.47 42.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -60.17 -47.36 86.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.446 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 5.9 m-30 -60.82 -49.12 78.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.627 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -57.87 -49.38 76.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.562 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -29.4 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.704 HD12 ' N ' ' B' ' 286' ' ' LEU . 6.1 mp -64.92 165.16 11.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 71.8 p -95.8 -37.29 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.577 ' HB3' ' CD2' ' B' ' 291' ' ' LEU . 0.9 OUTLIER -48.28 134.72 14.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.533 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -84.31 -31.25 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.588 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.77 -32.86 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.616 HD12 ' N ' ' B' ' 292' ' ' LYS . 3.2 pp -94.37 -47.63 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.519 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.616 ' N ' HD12 ' B' ' 291' ' ' LEU . 0.5 OUTLIER -40.72 -41.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -71.17 -40.83 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.446 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.63 HH11 ' CD2' ' B' ' 244' ' ' LEU . 37.9 tpt85 -51.57 -31.05 23.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.508 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -52.62 -44.16 65.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.47 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -45.71 -43.13 11.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.52 -37.73 87.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.401 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 10.8 tp -56.95 -56.88 15.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -55.05 -44.49 74.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.37 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.403 ' HB1' HG21 ' B' ' 333' ' ' THR . . . -59.97 -37.3 79.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.323 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.724 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.2 OUTLIER -58.63 -39.42 80.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.279 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -61.57 -43.12 99.71 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.81 -37.39 81.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 110.294 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.658 ' NH1' ' CD1' ' B' ' 223' ' ' PHE . 0.9 OUTLIER -72.68 -39.18 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.268 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' B' ' 309' ' ' LEU . 0.7 OUTLIER -68.17 -43.29 78.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.309 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.22 -39.34 94.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.361 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.59 -47.32 81.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.449 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -75.23 -16.75 60.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 0.4 OUTLIER -72.8 -18.21 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 310' ' ' ASP . 1.1 m-20 -103.37 127.36 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' B' ' 310' ' ' ASP . 6.9 m-20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.462 ' HD2' HH21 ' B' ' 322' ' ' ARG . 7.9 mtm105 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.754 0.312 . . . . 0.0 110.659 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' B' ' 324' ' ' ILE . 0.2 OUTLIER -179.93 159.14 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.77 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.585 HG12 ' O ' ' B' ' 184' ' ' GLU . 5.0 pt -126.52 148.31 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.423 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.403 HD23 ' N ' ' B' ' 326' ' ' VAL . 0.8 OUTLIER -93.33 135.48 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.747 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.567 HG13 ' O ' ' B' ' 326' ' ' VAL . 4.0 p -131.0 90.36 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.533 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -121.24 157.2 30.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.562 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' B' ' 351' ' ' GLY . 7.2 m-20 -64.47 -34.71 78.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -142.53 119.73 11.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.562 ' HG ' ' HB1' ' B' ' 357' ' ' ALA . 21.6 tp -71.88 116.16 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 85.9 p -114.05 133.12 55.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.512 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.65 -37.5 63.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.586 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.403 HG21 ' HB1' ' B' ' 300' ' ' ALA . 96.1 m -56.78 -46.73 81.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 97.6 m -57.27 -50.27 73.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.627 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.2 OUTLIER -54.05 -45.58 71.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.506 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -66.1 9.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' B' ' 335' ' ' LEU . 21.2 tt0 -110.32 -32.98 6.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 1.2 pp -112.74 133.74 21.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.91 135.72 43.49 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.821 2.347 . . . . 0.0 112.065 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' B' ' 340' ' ' GLN . 32.1 tp60 -73.85 -10.99 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -71.56 -39.65 70.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.523 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -82.84 -11.13 58.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.432 HD23 ' OE1' ' B' ' 340' ' ' GLN . 41.3 tp -83.11 102.78 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -119.06 24.75 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . 0.468 ' HA3' HG22 ' B' ' 324' ' ' ILE . . . 165.42 153.29 7.52 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.04 149.33 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 0.0 110.501 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 87.3 t -137.07 124.94 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . . . . . . . . . 3.6 t -115.56 148.61 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . 0.788 HH11 ' N ' ' B' ' 374' ' ' ILE . 15.3 ttm180 -115.92 -47.38 2.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.563 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' B' ' 350' ' ' ASP . 59.6 t0 -107.91 -33.66 7.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' B' ' 328' ' ' ASP . . . -39.05 146.61 0.17 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -97.59 156.32 16.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 110.651 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.88 -37.5 76.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' B' ' 355' ' ' SER . 48.1 p-10 -67.67 -13.67 62.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . 0.445 ' N ' ' OD1' ' B' ' 354' ' ' ASN . 52.9 m -54.45 134.96 46.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 19.5 pt20 -55.49 -40.31 71.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.588 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . 0.562 ' HB1' ' HG ' ' B' ' 330' ' ' LEU . . . -59.85 -48.74 80.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -58.81 -40.28 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.625 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 11.0 mm -71.53 -33.15 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.547 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -62.11 -51.15 69.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.489 HG23 ' N ' ' B' ' 362' ' ' ARG . 25.5 m -66.41 -43.58 91.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.501 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.489 ' N ' HG23 ' B' ' 361' ' ' VAL . 14.6 ttp180 -60.26 -44.52 95.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.27 -22.19 62.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.23 -24.9 60.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . 0.404 ' C ' HD12 ' B' ' 366' ' ' ILE . . . 95.6 26.47 11.86 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . 0.404 HD12 ' C ' ' B' ' 365' ' ' GLY . 1.5 mp -109.97 128.99 24.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.614 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.85 128.88 16.83 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.855 2.37 . . . . 0.0 112.102 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 47.0 m -143.61 138.62 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 28.7 m -136.74 148.42 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.905 ' SD ' ' HB2' ' B' ' 176' ' ' ALA . 0.1 OUTLIER -129.13 163.61 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.93 -4.33 59.07 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -53.36 111.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.55 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . 0.605 ' C ' HH11 ' B' ' 349' ' ' ARG . 6.2 p30 -110.81 62.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.824 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 3.9 tp -137.58 135.48 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -64.77 101.98 0.3 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . 0.824 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 52.6 Cg_exo -50.27 -24.01 10.91 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.746 2.297 . . . . 0.0 112.136 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 49.1 m -58.75 -39.89 82.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.78 -32.31 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.856 HD22 ' N ' ' B' ' 379' ' ' LEU . 1.3 mm? -84.18 -47.98 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.642 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.625 ' O ' ' O ' ' B' ' 185' ' ' GLY . 61.3 t-80 52.93 -69.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.589 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.729 ' N ' ' O ' ' B' ' 379' ' ' LEU . 8.8 mtm105 -146.56 25.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.582 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -72.72 174.26 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . 0.732 ' O ' HD12 ' B' ' 384' ' ' LEU . 60.2 m -79.35 122.24 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.732 HD12 ' O ' ' B' ' 383' ' ' THR . 3.4 mp -131.11 117.32 18.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.618 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . 0.769 HG23 ' HB2' ' B' ' 394' ' ' LEU . 0.7 OUTLIER -108.15 122.85 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.576 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 17.2 m -102.27 153.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.558 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.641 ' O ' ' N ' ' B' ' 391' ' ' GLY . 38.5 t0 -136.08 79.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.572 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.7 -44.98 30.73 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -45.61 -53.31 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.506 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.14 8.02 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.604 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.641 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 45.71 53.49 8.51 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -118.3 153.54 33.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.431 HD23 ' N ' ' B' ' 394' ' ' LEU . 1.3 tt -130.67 118.0 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.769 ' HB2' HG23 ' B' ' 385' ' ' ILE . 2.0 mm? -102.07 143.46 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.615 ' O ' ' C ' ' B' ' 396' ' ' ASP . 28.3 m -119.38 115.52 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.559 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.615 ' C ' ' O ' ' B' ' 395' ' ' VAL . 20.5 p-10 20.39 56.9 0.22 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.589 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 55.6 Cg_endo . . . . . 0 C--N 1.304 -1.799 0 C-N-CA 122.79 2.327 . . . . 0.0 112.162 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.42 ' H ' HG22 ' A' ' 2' ' ' THR . 1.8 t -84.94 159.01 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -133.14 119.68 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -126.84 172.85 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.706 ' C ' ' NE2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -161.88 133.98 5.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.6 m -80.04 127.76 32.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.5 HG13 HG13 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -128.71 124.35 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.461 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -80.71 126.4 31.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.5 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.438 HD11 HD13 ' A' ' 63' ' ' ILE . 75.7 mt -89.64 105.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.696 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.6 OUTLIER -84.4 61.08 6.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 59.86 25.21 14.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.645 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.58 102.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.5 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 0.4 OUTLIER -66.32 -4.59 8.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.587 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 15' ' ' MET . . . 147.75 124.32 1.46 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.803 ' O ' ' N ' ' A' ' 17' ' ' ALA . 6.7 mtt -29.8 149.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -52.39 63.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.803 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -110.11 -3.62 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.79 ' N ' ' HD3' ' A' ' 19' ' ' PRO . 3.1 mtp180 78.82 36.47 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.517 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.79 ' HD3' ' N ' ' A' ' 18' ' ' ARG . 60.1 Cg_exo -46.8 -55.69 3.63 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.822 2.348 . . . . 0.0 112.025 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.536 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -57.31 -47.45 81.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.522 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.4 -42.72 95.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.28 -38.27 86.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.518 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.9 -46.78 52.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.389 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -55.68 -40.25 72.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -71.96 -36.47 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' A' ' 30' ' ' PHE . 92.1 mt -66.51 -42.14 87.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 38.4 ttm -55.54 -31.11 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.484 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -33.19 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.63 -33.56 34.05 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' A' ' 26' ' ' LEU . 22.6 m-85 -103.53 155.67 18.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.611 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -99.62 92.68 5.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 170.88 157.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -102.3 126.76 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.13 134.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mp -135.84 139.25 43.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.505 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 6.0 mt -109.08 149.72 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.581 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -148.08 133.4 18.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.524 ' HA ' HG22 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -89.97 157.87 17.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD2' ' OE1' ' A' ' 62' ' ' GLN . 54.7 t0 -53.86 -28.5 36.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 47.9 mt-10 -66.95 -11.14 55.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.64 11.28 59.46 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 p -83.99 116.74 22.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.903 0.382 . . . . 0.0 110.486 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.77 102.61 7.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.646 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -88.97 66.43 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.564 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -41.45 121.55 1.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.528 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -10.21 12.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -100.22 29.23 4.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.74 122.9 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.35 -35.74 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.583 HD12 ' CE2' ' B' ' 283' ' ' PHE . 2.7 tt -61.64 -36.76 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.605 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.646 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.39 -42.07 88.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.713 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.536 HD22 ' HB1' ' A' ' 20' ' ' ALA . 95.7 mt -58.79 -37.85 77.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.673 HD13 HD12 ' B' ' 291' ' ' LEU . 87.3 mt -65.6 -36.54 84.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.61 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.4 mtm -67.61 -37.27 82.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.1 tt -62.04 -36.06 80.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -52.69 -35.49 55.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.7 p -75.99 -6.56 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.47 29.67 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 97.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.62 5.8 38.83 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.543 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 85.4 mtt180 -106.21 165.78 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.718 0.294 . . . . 0.0 110.58 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.412 ' OE1' ' OD2' ' A' ' 39' ' ' ASP . 2.8 mp0 -99.07 143.05 29.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.547 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 38' ' ' ASN . 42.3 pt -130.94 161.89 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.559 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mp0 -123.5 101.52 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.74 127.57 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.505 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -119.68 138.18 53.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.88 130.38 29.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.485 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.464 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 2.6 t -124.0 129.09 50.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.33 162.59 9.29 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -48.02 -44.88 26.77 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.798 2.332 . . . . 0.0 112.141 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLU . 1.1 mm100 -93.85 6.24 49.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.543 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 13.9 pt-20 -37.7 -37.79 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.531 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 3.2 pt-20 -64.26 -48.86 74.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.597 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.531 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 14.5 mm-40 -57.7 -51.09 70.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.41 -48.99 75.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.634 ' C ' HD23 ' A' ' 76' ' ' LEU . 9.7 tt -64.44 -45.0 89.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.66 99.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.454 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.62 98.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.36 -44.07 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.555 HD11 ' CD ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -63.29 -41.84 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.462 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.5 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.28 -36.55 84.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.426 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.71 -37.48 67.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.435 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 13' ' ' LEU . 4.1 m-85 -70.0 -31.91 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.698 ' O ' ' HB2' ' A' ' 85' ' ' SER . 5.8 m120 -82.31 -4.03 56.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.698 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 26.7 m . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . 0.831 ' C ' HD12 ' B' ' 171' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . 0.831 HD12 ' C ' ' B' ' 170' ' ' ARG . 2.0 mp -131.94 140.95 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.563 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -91.56 108.6 20.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -103.4 158.42 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.512 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.593 ' N ' ' O ' ' B' ' 370' ' ' MET . 49.0 mt -68.49 117.65 52.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.38 104.11 1.74 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.648 2.232 . . . . 0.0 112.217 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . 0.501 ' O ' ' NH2' ' B' ' 362' ' ' ARG . . . -82.14 -39.81 22.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.599 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . 0.573 ' O ' ' HA3' ' B' ' 388' ' ' GLY . . . -134.67 132.72 20.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.45 138.54 32.83 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.841 2.361 . . . . 0.0 112.106 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 139.06 168.92 11.41 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 76.5 t -121.52 137.53 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.509 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -141.67 142.17 33.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 7.6 tt -126.54 128.75 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.735 ' HB3' HG23 ' B' ' 324' ' ' ILE . . . 179.79 170.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.601 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . 0.644 ' O ' HG12 ' B' ' 324' ' ' ILE . 92.1 mt-10 -78.16 169.65 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.482 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.775 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -90.31 97.72 2.36 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -105.5 122.15 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.818 0.342 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 0.591 HD12 ' H ' ' B' ' 204' ' ' ASP . 11.0 tp -68.24 129.12 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.591 ' H ' HD12 ' B' ' 203' ' ' LEU . 73.9 m-20 -152.55 93.6 3.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.583 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.511 ' O ' ' NE ' ' B' ' 209' ' ' ARG . 39.1 Cg_endo -70.32 -20.5 32.12 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.803 2.336 . . . . 0.0 112.111 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -79.57 -41.76 26.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 211' ' ' ARG . 35.8 mt -85.93 -36.36 19.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.663 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 0.0 OUTLIER -65.43 -52.79 50.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.541 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' B' ' 205' ' ' PRO . 6.9 ptp180 -60.36 -41.19 93.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.477 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' B' ' 206' ' ' ALA . 3.4 mm-40 -75.62 -34.03 60.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.642 ' NH2' ' OE2' ' B' ' 269' ' ' GLU . 11.2 mtt180 -56.53 -52.62 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.568 ' HB3' ' NH2' ' B' ' 255' ' ' ARG . 0.2 OUTLIER -71.33 -53.79 12.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.331 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' B' ' 255' ' ' ARG . 81.9 m -50.45 -53.0 32.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.26 -34.37 84.29 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.25 67.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.799 0.333 . . . . 0.0 110.398 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.744 ' O ' ' N ' ' B' ' 220' ' ' ALA . 2.1 tp -54.86 -50.17 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.447 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 71.9 mm-40 -49.76 -37.0 27.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.331 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -80.88 -32.01 35.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.73 -51.99 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.339 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.744 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.84 -51.54 67.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.396 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.6 ' O ' ' NE ' ' B' ' 225' ' ' ARG . 90.3 m-20 -64.32 -33.79 76.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.321 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.693 ' N ' HH11 ' B' ' 225' ' ' ARG . 3.6 tm-20 -70.74 -39.5 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.416 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . 0.437 ' CZ ' ' CD2' ' B' ' 301' ' ' LEU . 2.9 m-85 -64.65 -47.83 77.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.454 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . 0.42 ' HD2' HH21 ' B' ' 224' ' ' ARG . 14.3 mtm180 -60.96 -40.82 94.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . 0.693 HH11 ' N ' ' B' ' 222' ' ' GLU . 81.4 mtm180 -68.53 -30.99 69.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.436 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.7 ' OH ' ' O ' ' B' ' 336' ' ' ALA . 0.3 OUTLIER -63.44 -55.89 20.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 9.2 p -49.99 -44.38 50.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -60.87 -39.75 90.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . 0.464 ' NH1' ' CE1' ' B' ' 226' ' ' TYR . 31.5 ttp-105 -69.67 -39.6 76.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.63 -43.12 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.508 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.65 -36.48 67.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.07 71.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.526 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -93.27 26.76 13.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . 51.51 77.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.693 ' NE2' ' H ' ' B' ' 238' ' ' THR . 0.0 OUTLIER -143.15 92.63 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' B' ' 236' ' ' LYS . 1.0 OUTLIER -70.98 -42.32 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.587 ' OE1' ' N ' ' B' ' 238' ' ' THR . 16.3 tm-20 -50.58 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.693 ' H ' ' NE2' ' B' ' 235' ' ' GLN . 3.0 p -46.85 -59.09 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -48.63 -50.53 32.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.48 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.32 88.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.583 HG22 ' N ' ' B' ' 242' ' ' PHE . 1.3 mp -68.07 -54.91 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.583 ' N ' HG22 ' B' ' 241' ' ' ILE . 11.3 m-85 -58.66 -53.86 53.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.572 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -43.5 -41.99 4.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.433 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.91 -38.76 79.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.483 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.544 ' OH ' ' HB2' ' B' ' 297' ' ' ASP . 10.6 m-85 -70.73 -42.27 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.18 -46.68 35.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.569 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.464 ' ND1' ' O ' ' B' ' 247' ' ' HIS . 0.0 OUTLIER -73.41 -26.55 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.829 HD23 ' N ' ' B' ' 249' ' ' LEU . 0.6 OUTLIER -69.99 -40.18 75.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.842 HD11 HD11 ' B' ' 301' ' ' LEU . 2.8 mt -72.13 -38.02 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 60.2 p -76.09 -17.8 59.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.721 ' OD1' ' N ' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -44.53 116.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 13.6 t -57.24 0.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.476 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.721 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 7.2 ttt180 -86.58 -40.84 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . 0.701 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 4.7 mp -77.46 -38.03 50.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.568 ' NH2' ' HB3' ' B' ' 212' ' ' LEU . 14.3 tpt180 -63.09 -50.94 68.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -60.34 -46.57 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 0.6 OUTLIER -51.35 -50.76 58.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.497 HD22 HD23 ' B' ' 212' ' ' LEU . 0.1 OUTLIER -54.44 -63.55 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.638 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . 0.523 ' O ' HG22 ' B' ' 262' ' ' VAL . 3.2 t80 -53.65 -25.61 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -72.72 -40.17 66.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.37 -49.43 77.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 259' ' ' PHE . 2.8 m -65.29 -34.4 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.597 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.29 -15.98 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -92.77 -17.13 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.36 20.38 2.44 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' B' ' 262' ' ' VAL . 6.2 m -103.57 157.08 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.548 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 8.2 t -91.1 141.68 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.448 ' O ' HG12 ' B' ' 272' ' ' VAL . . . -54.57 -36.64 64.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.642 ' OE2' ' NH2' ' B' ' 211' ' ' ARG . 1.1 mp0 -54.47 -47.26 73.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -83.58 -31.8 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.619 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.787 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -59.83 -49.4 77.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.639 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.448 HG12 ' O ' ' B' ' 268' ' ' ALA . 13.6 p -65.44 -31.21 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.755 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 38.1 ttpt -80.25 -44.88 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.1 m -64.39 -51.66 62.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.863 HG23 ' N ' ' B' ' 276' ' ' ILE . 21.4 m -58.24 -63.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.511 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.863 ' N ' HG23 ' B' ' 275' ' ' VAL . 7.2 tp -47.91 -41.42 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.622 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.755 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 0.4 OUTLIER -74.1 -40.59 62.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.528 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -63.01 -35.13 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.591 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . 0.498 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 35.9 m-85 -82.92 -12.58 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -76.79 -44.81 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.629 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.476 ' CD ' ' O ' ' B' ' 277' ' ' GLU . 3.2 pm0 -85.72 -28.87 24.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . 0.413 ' NE2' ' CD2' ' B' ' 279' ' ' PHE . 3.2 mt-30 -53.52 -51.47 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.499 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.611 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 0.7 OUTLIER -77.83 -42.99 31.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.603 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -41.25 -33.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -51.61 -17.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.7 172.82 9.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 89.4 p -108.61 -24.16 11.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -43.73 115.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -54.92 -53.07 60.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.26 -28.31 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.413 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.673 HD12 HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -74.72 -56.62 4.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.499 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 291' ' ' LEU . 8.6 mmtp -38.54 -47.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.395 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.11 -46.21 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.316 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.423 ' HD2' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -60.48 -39.33 87.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.218 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' B' ' 298' ' ' LEU . . . -58.46 -46.98 85.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.269 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -53.2 -40.19 59.46 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.544 ' HB2' ' OH ' ' B' ' 245' ' ' TYR . 0.2 OUTLIER -65.39 -38.11 89.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.242 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 295' ' ' ALA . 4.2 mt -54.0 -50.96 65.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.315 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . 0.757 ' HG3' ' N ' ' B' ' 300' ' ' ALA . 0.1 OUTLIER -54.4 -37.34 64.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.225 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.757 ' N ' ' HG3' ' B' ' 299' ' ' ARG . . . -67.9 -38.6 83.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.207 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.842 HD11 HD11 ' B' ' 249' ' ' LEU . 1.8 tm? -50.47 -42.93 55.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.267 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -64.71 -40.2 97.26 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -43.99 89.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.366 . . . . 0.0 110.248 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.484 ' O ' ' CD2' ' B' ' 308' ' ' HIS . 0.0 OUTLIER -71.64 -36.66 70.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.235 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' B' ' 305' ' ' LEU . 0.1 OUTLIER -69.27 -39.44 78.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 179.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . 0.613 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.5 OUTLIER -56.94 -40.32 76.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.383 179.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -41.61 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 82.3 m-70 -66.39 -33.13 75.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.451 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' B' ' 309' ' ' LEU . 8.2 tp -61.59 -9.12 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.499 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . 0.613 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 6.4 m-20 -107.12 115.19 29.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.579 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.893 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 84.2 mtt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.74 0.305 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.893 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 27.9 m-85 -174.81 167.18 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.735 HG23 ' HB3' ' B' ' 183' ' ' ALA . 7.3 pt -101.39 147.11 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.577 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.468 HD12 HD11 ' B' ' 343' ' ' LEU . 0.4 OUTLIER -81.97 110.72 17.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.2 97.99 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -134.52 149.13 50.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.484 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.83 -27.97 68.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -151.49 123.33 8.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.591 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.606 HD11 HG11 ' B' ' 346' ' ' VAL . 2.4 mt -57.93 131.59 50.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.619 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 4.1 m -130.78 123.59 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.568 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.03 -39.53 66.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.674 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.66 HG21 ' HB1' ' B' ' 300' ' ' ALA . 61.9 m -58.65 -43.31 89.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 60.7 m -60.7 -50.27 74.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 5.2 mp -49.73 -43.64 47.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . 0.7 ' O ' ' OH ' ' B' ' 226' ' ' TYR . . . -64.11 -24.82 67.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.75 -35.92 79.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 7.3 mp -115.76 126.12 28.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -48.19 143.67 14.13 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.839 2.359 . . . . 0.0 112.112 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -67.39 -7.5 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.493 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.21 -38.84 42.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.657 ' HA ' ' HE ' ' B' ' 342' ' ' ARG . 9.2 mmp_? -78.72 -24.82 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.468 HD11 HD12 ' B' ' 325' ' ' LEU . 2.0 mm? -69.16 113.32 6.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.51 HG12 ' O ' ' B' ' 344' ' ' VAL . 6.1 t -122.72 19.61 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.582 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . 0.577 ' HA3' HG22 ' B' ' 324' ' ' ILE . . . 159.61 163.95 14.12 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.606 HG11 HD11 ' B' ' 330' ' ' LEU . 48.9 t -148.05 151.23 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.509 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . 0.474 HG22 ' O ' ' B' ' 347' ' ' VAL . 0.2 OUTLIER -146.29 125.52 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.54 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.49 HG11 ' O ' ' B' ' 351' ' ' GLY . 89.2 t -109.18 148.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -86.18 -54.85 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.654 ' O ' ' N ' ' B' ' 352' ' ' ALA . 0.0 OUTLIER -135.99 -19.03 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . -53.54 74.34 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -34.36 157.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.51 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . 0.806 ' HB1' HH12 ' B' ' 362' ' ' ARG . . . -61.93 -6.12 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -54.02 -33.57 57.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.57 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 51.9 m -51.46 141.25 16.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -58.91 -37.72 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.624 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.87 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.54 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.533 HD13 HH11 ' B' ' 362' ' ' ARG . 38.4 mm -64.86 -31.68 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.65 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 37.8 tpp -86.39 -25.03 25.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.622 ' CG1' ' N ' ' B' ' 362' ' ' ARG . 0.4 OUTLIER -65.85 -48.38 82.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.501 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.806 HH12 ' HB1' ' B' ' 353' ' ' ALA . 3.7 ptp180 -68.51 -36.32 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.527 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.432 ' N ' ' CG ' ' B' ' 362' ' ' ARG . . . -68.45 -24.13 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 5.4 tp -79.72 -21.57 44.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.53 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 91.7 37.98 5.96 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 3.4 mm -118.81 117.39 33.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 110.567 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -47.93 135.01 23.58 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.817 2.345 . . . . 0.0 112.13 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 87.3 m -154.51 145.87 23.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.565 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . 0.445 ' C ' ' SD ' ' B' ' 370' ' ' MET . 27.4 m -135.15 154.57 36.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.593 ' O ' ' N ' ' B' ' 174' ' ' LEU . 1.2 mmm -132.53 163.87 27.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.672 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 95.21 -2.64 65.84 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.7 112.79 0.9 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.775 0.321 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.04 31.7 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.536 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 5.8 tt -109.56 143.95 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.631 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 20.1 mp0 -71.39 109.8 6.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.602 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 50.1 Cg_exo -48.74 -35.01 29.24 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.78 2.32 . . . . 0.0 112.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 60.6 m -53.08 -39.22 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 86.7 t -69.11 -36.87 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.778 HD13 HD22 ' B' ' 384' ' ' LEU . 55.9 mt -71.06 -27.2 63.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.775 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER -0.8 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.562 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.451 ' H ' ' HB3' ' B' ' 380' ' ' HIS . 2.7 ptp180 -93.07 -2.13 55.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . 0.82 HH22 ' CG ' ' B' ' 396' ' ' ASP . 1.3 ttp85 -63.95 159.03 20.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . 0.551 ' O ' ' NH1' ' B' ' 382' ' ' ARG . 1.2 p -86.17 131.38 34.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.778 HD22 HD13 ' B' ' 379' ' ' LEU . 27.2 tp -140.62 117.85 11.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.506 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 63.9 mt -101.06 120.13 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 5.9 m -109.57 135.45 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.618 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.2 t0 -121.33 95.44 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -53.24 -40.16 59.71 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -48.65 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.831 0.348 . . . . 0.0 110.523 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . 0.405 ' CZ ' ' OD2' ' B' ' 387' ' ' ASP . 91.1 mtm-85 -90.99 -7.54 51.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 47.94 62.21 4.33 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -152.4 167.38 28.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.34 125.46 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 2.5 mp -98.86 144.87 27.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.526 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.679 ' O ' ' C ' ' B' ' 396' ' ' ASP . 85.6 t -112.55 101.76 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.82 ' CG ' HH22 ' B' ' 382' ' ' ARG . 10.4 p-10 -7.75 77.54 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.657 ' N ' ' O ' ' B' ' 395' ' ' VAL . 47.4 Cg_endo . . . . . 0 C--N 1.306 -1.68 0 C-N-CA 122.787 2.325 . . . . 0.0 112.085 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.423 ' H ' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER -83.73 160.1 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.9 t -134.18 119.77 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -126.6 173.55 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.81 ' OE1' HD12 ' A' ' 80' ' ' ILE . 4.7 pt20 -160.82 136.58 8.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.502 HG23 ' OE1' ' A' ' 62' ' ' GLN . 85.7 m -83.92 124.09 30.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.667 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.3 t -125.01 126.71 71.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.46 124.72 30.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.0 mt -87.51 106.01 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 40.6 p -83.83 55.65 3.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' THR . 35.2 m120 66.01 19.16 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.487 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.464 ' HZ2' ' HA ' ' A' ' 15' ' ' MET . 2.2 tptp -160.37 102.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.583 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.668 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -67.45 0.96 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.56 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.632 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 116.53 32.19 1.66 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.69 ' SD ' ' HD2' ' A' ' 18' ' ' ARG . 16.9 ttt 91.93 1.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.602 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 1.088 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 11.2 p80 40.11 -179.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 21' ' ' MET . . . 52.03 -74.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.69 ' HD2' ' SD ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -49.65 -56.76 14.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.558 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 1.088 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 29.7 Cg_endo -66.3 -45.32 5.54 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.72 2.28 . . . . 0.0 112.076 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.594 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -68.82 -37.8 79.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.59 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' ALA . 2.0 tmt? -74.58 -39.45 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.596 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 19.4 mmtp -62.16 -36.5 82.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.564 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD13 HG23 ' A' ' 79' ' ' VAL . 13.5 tp -50.61 -45.0 57.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.647 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.585 ' N ' ' CD2' ' A' ' 24' ' ' PHE . 1.8 m-30 -57.95 -37.08 73.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -76.49 -32.6 58.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.813 HD12 ' CE1' ' A' ' 30' ' ' PHE . 3.4 mm? -69.49 -41.44 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.528 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.3 mtp -56.93 -33.16 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 24' ' ' PHE . 7.2 mm100 -78.59 -36.35 44.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.9 -29.74 50.36 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.813 ' CE1' HD12 ' A' ' 26' ' ' LEU . 16.6 m-85 -107.67 150.45 26.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.549 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 70.4 m-20 -95.15 97.26 9.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.549 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 164.94 154.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.552 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -99.38 130.63 45.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.585 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.3 t -107.97 134.34 50.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.439 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.31 137.81 41.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.2 mp -108.24 150.87 26.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.397 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.552 ' NE ' ' OE2' ' A' ' 43' ' ' GLU . 11.5 mtp180 -146.35 135.41 22.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -92.09 153.62 19.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -50.79 -28.59 9.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -67.77 -10.9 56.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.47 11.75 59.16 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.9 m -84.29 117.24 23.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.655 0.264 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.552 ' OE2' ' NE ' ' A' ' 37' ' ' ARG . 55.1 mm-40 -78.21 103.29 8.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.494 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.645 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.47 65.25 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -41.03 121.63 1.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.538 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.599 ' HB1' HD23 ' A' ' 23' ' ' LEU . . . -63.3 -9.33 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -99.91 27.4 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -146.05 123.86 11.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.605 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.3 m -63.89 -35.49 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.004 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -61.78 -35.88 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.58 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.645 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.53 -42.03 87.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.471 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.84 -39.5 81.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.569 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.004 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 1.8 pp -64.46 -35.94 82.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.722 ' N ' HD12 ' A' ' 53' ' ' LEU . 1.1 tmm? -68.52 -35.96 78.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 9.4 mt -64.52 -35.24 80.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.574 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -52.81 -34.68 54.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 t -76.91 -6.5 52.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.93 28.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.603 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' HD22 ' A' ' 11' ' ' ASN . 0.0 OUTLIER -68.43 97.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.487 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.08 6.22 39.84 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.73 164.32 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.502 ' OE1' HG23 ' A' ' 6' ' ' THR . 1.2 tm0? -97.25 143.42 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.657 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.895 HD13 ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -131.13 160.84 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.494 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.617 ' N ' HG12 ' A' ' 63' ' ' ILE . 57.4 mp0 -122.89 101.01 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.854 HG23 HD11 ' A' ' 63' ' ' ILE . 21.7 t -80.93 127.9 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.49 139.04 53.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.71 130.57 30.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.63 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.463 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 63.7 m -123.67 128.84 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.532 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.546 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.51 161.0 8.58 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -46.54 -45.54 19.26 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.864 2.376 . . . . 0.0 112.156 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.546 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 3.4 mt-30 -93.07 4.89 53.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.448 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.546 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 9.5 pt-20 -35.79 -38.47 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 81.3 mt-10 -63.81 -48.37 77.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.8 mp0 -58.1 -50.19 74.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.35 -48.06 79.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.693 HD21 ' OE1' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -65.62 -43.86 88.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.536 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 80' ' ' ILE . . . -62.55 -42.31 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.19 99.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.533 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.647 HG11 HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -66.91 -41.89 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.81 HD12 ' OE1' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -65.41 -40.88 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.507 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.502 ' N ' ' CG2' ' A' ' 80' ' ' ILE . . . -63.85 -36.37 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.477 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.8 mt -73.66 -36.91 65.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.505 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.2 m-85 -69.31 -33.05 72.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.627 ' O ' ' HB2' ' A' ' 85' ' ' SER . 3.3 m120 -81.2 -8.77 59.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.626 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.627 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 29.2 m . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.606 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . 0.433 ' N ' HD13 ' B' ' 394' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . 0.47 ' O ' ' CD ' ' B' ' 392' ' ' GLU . 50.2 mm -120.85 131.58 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -80.29 122.24 26.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.48 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -121.91 160.5 24.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.765 HD22 ' N ' ' B' ' 174' ' ' LEU . 2.8 mm? -83.25 112.13 36.45 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.491 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.07 119.71 6.35 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.758 2.305 . . . . 0.0 112.127 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . 0.427 ' HB1' ' CZ ' ' B' ' 362' ' ' ARG . . . -93.26 -42.51 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . 0.445 ' HB2' ' HG2' ' B' ' 362' ' ' ARG . . . -133.2 111.09 12.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.4 155.74 1.17 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.772 2.314 . . . . 0.0 112.191 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 125.95 160.95 10.81 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . 0.417 ' O ' HG13 ' B' ' 180' ' ' VAL . 14.6 p -118.14 132.3 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.373 . . . . 0.0 110.584 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' B' ' 344' ' ' VAL . . . -136.05 135.15 39.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 11.9 pt -124.62 132.99 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.526 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.424 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 178.76 173.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . 0.405 ' HB2' ' CE2' ' B' ' 323' ' ' PHE . 42.0 mt-10 -79.77 158.92 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . . . . . . . . . . . -89.86 128.24 9.12 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . 0.465 ' O ' HG22 ' B' ' 326' ' ' VAL . 10.0 t90 -122.23 133.75 54.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 0.0 110.539 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . 0.551 ' OE1' ' O ' ' B' ' 326' ' ' VAL . 69.8 tp60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 0.425 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 0.5 OUTLIER -83.92 131.01 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.486 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.807 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 73.4 m-20 -149.87 93.74 3.91 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.654 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.54 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 35.5 Cg_endo -68.07 -26.99 36.36 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.791 2.327 . . . . 0.0 112.032 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -74.14 -44.63 52.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.463 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' B' ' 211' ' ' ARG . 9.7 mp -82.36 -37.21 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.807 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 77.2 mm-40 -69.7 -50.06 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.452 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . 0.551 ' NH2' ' CZ ' ' B' ' 259' ' ' PHE . 48.2 tpt85 -55.25 -47.57 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.388 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.05 -39.99 75.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.639 ' NH1' ' OE2' ' B' ' 269' ' ' GLU . 29.5 mtp180 -53.79 -42.16 68.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.371 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' B' ' 212' ' ' LEU . 2.3 mm? -65.28 -48.56 72.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.434 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 34.2 m -53.92 -49.02 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.389 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.33 -34.61 90.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.32 -42.18 65.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.737 0.303 . . . . 0.0 110.451 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.493 HD22 ' CZ ' ' B' ' 255' ' ' ARG . 3.9 tp -58.74 -49.14 78.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.464 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -51.84 -35.01 43.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -77.48 -34.26 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -82.47 -48.12 11.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.481 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.4 93.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.515 ' O ' ' HD3' ' B' ' 225' ' ' ARG . 98.1 m-20 -68.8 -31.27 70.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.514 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.679 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.2 OUTLIER -64.03 -37.86 88.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . 0.681 ' CD1' ' OG ' ' B' ' 246' ' ' SER . 0.0 OUTLIER -71.36 -49.92 37.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . 0.622 ' N ' ' CG ' ' B' ' 223' ' ' PHE . 4.4 ttm180 -51.18 -42.56 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.465 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . 0.724 ' O ' ' HG2' ' B' ' 229' ' ' ARG . 40.9 mtp180 -76.17 -31.28 58.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.49 ' HA ' ' HE ' ' B' ' 229' ' ' ARG . 0.2 OUTLIER -64.6 -69.93 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.472 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 87.6 p -52.75 -36.52 57.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.508 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -53.1 -54.0 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . 0.724 ' HG2' ' O ' ' B' ' 225' ' ' ARG . 9.9 ptt180 -74.01 -45.68 48.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.606 ' O ' ' N ' ' B' ' 234' ' ' ALA . 1.3 m-85 -52.45 -56.78 12.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -53.2 -34.11 55.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.469 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 229' ' ' ARG . . . -63.74 -26.46 68.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -121.61 -63.93 0.23 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.606 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -52.17 -172.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.577 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.584 ' O ' ' OG1' ' B' ' 238' ' ' THR . 4.7 pt20 -91.52 161.12 15.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -34.4 57.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.49 -58.42 5.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.584 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 6.5 p -41.32 -63.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -52.97 -45.33 67.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.624 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . 0.419 ' HB2' HH22 ' A' ' 18' ' ' ARG . . . -53.91 -40.55 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.635 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.576 HG22 ' N ' ' B' ' 242' ' ' PHE . 1.0 OUTLIER -65.42 -60.29 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.604 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.576 ' N ' HG22 ' B' ' 241' ' ' ILE . 1.7 m-85 -58.17 -53.89 53.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.04 -44.8 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 0.723 HD23 ' NH2' ' B' ' 294' ' ' ARG . 21.5 tp -69.3 -41.34 76.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.565 ' O ' ' N ' ' B' ' 248' ' ' LEU . 0.5 OUTLIER -70.81 -41.4 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . 0.681 ' OG ' ' CD1' ' B' ' 223' ' ' PHE . 44.1 m -43.81 -42.14 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.582 ' HA ' ' OG ' ' B' ' 250' ' ' SER . 2.2 t-80 -75.42 -10.79 59.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.848 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 6.2 tt -70.53 -47.15 61.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.538 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.817 ' HG ' ' N ' ' B' ' 250' ' ' SER . 0.7 OUTLIER -85.71 -37.16 19.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . 0.817 ' N ' ' HG ' ' B' ' 249' ' ' LEU . 54.0 p -64.14 -31.93 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.849 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 10.1 p30 -54.82 117.59 3.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . 0.423 ' H ' HG22 ' B' ' 252' ' ' THR . 0.6 OUTLIER -53.25 -6.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.621 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' B' ' 251' ' ' ASP . 14.1 ttp-105 -68.52 -58.73 3.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.659 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -47.68 82.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.561 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.493 ' CZ ' HD22 ' B' ' 216' ' ' LEU . 3.3 ttm180 -59.51 -46.04 89.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.698 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -54.98 -42.18 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 3.2 tt0 -63.4 -45.36 91.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.68 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.749 HD23 ' N ' ' B' ' 259' ' ' PHE . 2.2 tt -57.87 -51.0 71.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.704 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . 0.749 ' N ' HD23 ' B' ' 258' ' ' LEU . 26.6 m-85 -57.99 -32.8 68.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.562 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -58.37 -40.54 82.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.62 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.89 -36.56 80.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . 0.453 ' HA ' ' OG ' ' B' ' 266' ' ' SER . 54.4 t -69.33 -36.51 72.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.59 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -57.27 -21.26 33.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -85.79 -22.69 27.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 128.18 24.85 1.13 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . 0.453 ' OG ' ' HA ' ' B' ' 262' ' ' VAL . 26.9 p -100.68 162.47 12.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.616 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 3.1 m -107.38 155.32 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -54.19 -43.68 70.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.653 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.639 ' OE2' ' NH1' ' B' ' 211' ' ' ARG . 3.3 mp0 -44.66 -57.6 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.644 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -79.03 -37.02 40.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.561 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -57.08 -48.83 77.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.46 -36.08 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.647 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.522 ' CD ' ' C ' ' B' ' 273' ' ' LYS . 0.0 OUTLIER -79.87 -38.15 33.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.721 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 98.7 m -67.82 -56.44 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.558 ' CG1' ' N ' ' B' ' 276' ' ' ILE . 3.6 p -51.7 -44.96 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.508 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.558 ' N ' ' CG1' ' B' ' 275' ' ' VAL . 22.5 mm -65.61 -37.91 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 0.8 OUTLIER -67.1 -35.65 80.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.533 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -70.25 -36.31 74.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.651 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' B' ' 283' ' ' PHE . 1.8 m-85 -85.33 -14.36 46.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.494 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . 0.594 ' O ' ' HB3' ' B' ' 284' ' ' ALA . . . -74.79 -32.93 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.645 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.611 ' O ' ' HB2' ' B' ' 285' ' ' ALA . 6.4 mp0 -98.69 -39.92 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.614 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.77 -44.27 90.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.578 ' CD2' ' N ' ' B' ' 284' ' ' ALA . 0.0 OUTLIER -82.14 -33.02 29.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' B' ' 280' ' ' ALA . . . -85.79 1.09 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' B' ' 281' ' ' GLU . . . -81.17 -7.25 59.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.66 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.444 ' HG ' ' CD1' ' A' ' 53' ' ' LEU . 2.0 mm? -75.22 -178.73 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.629 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 75.4 m -101.59 -32.06 10.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.652 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.698 ' HB3' HD21 ' B' ' 291' ' ' LEU . 8.9 t70 -49.76 142.44 8.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -83.52 -37.67 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . 0.471 ' OH ' ' NH1' ' B' ' 294' ' ' ARG . 30.9 t80 -45.8 -29.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.467 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.957 HD13 HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -100.09 -63.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' B' ' 284' ' ' ALA . 0.1 OUTLIER -37.32 -41.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -72.46 -48.65 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.723 ' NH2' HD23 ' B' ' 244' ' ' LEU . 29.2 mtt180 -56.33 -19.42 14.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 294' ' ' ARG . . . -37.45 -50.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.42 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -47.41 -41.01 16.5 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' B' ' 294' ' ' ARG . 8.8 m-20 -65.53 -46.52 79.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 0.0 110.497 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.81 -54.53 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.378 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -59.35 -36.5 75.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.42 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -62.32 -41.41 98.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.341 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' B' ' 301' ' ' LEU . 0.2 OUTLIER -54.33 -43.75 71.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.375 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.78 -41.72 99.21 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -45.01 94.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.862 0.363 . . . . 0.0 110.471 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.679 HH11 ' CD ' ' B' ' 222' ' ' GLU . 14.2 mmm-85 -63.47 -41.65 98.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.325 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . 0.585 ' O ' HD23 ' B' ' 309' ' ' LEU . 1.1 tp -65.61 -39.6 91.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.451 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' B' ' 306' ' ' LEU . 0.5 OUTLIER -65.57 -37.83 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.36 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -67.25 -42.53 83.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.359 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 5.9 m-70 -69.48 -27.34 65.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.452 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.585 HD23 ' O ' ' B' ' 305' ' ' LEU . 0.9 OUTLIER -60.28 -15.35 24.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.589 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -110.73 111.65 22.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 6.5 tpp85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.872 0.368 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 171.97 156.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' B' ' 325' ' ' LEU . 8.5 mt -110.22 156.13 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.481 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.475 ' N ' ' CG2' ' B' ' 324' ' ' ILE . 13.7 tp -102.85 125.59 49.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.551 ' O ' ' OE1' ' B' ' 187' ' ' GLN . 0.6 OUTLIER -119.28 98.92 6.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -125.38 155.07 40.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . 0.592 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 6.3 p-10 -68.58 -30.88 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.544 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 329' ' ' GLU . 0.3 OUTLIER -148.01 132.86 18.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' B' ' 357' ' ' ALA . 0.9 OUTLIER -74.44 118.41 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.575 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . 0.596 ' HB3' HG22 ' B' ' 333' ' ' THR . 75.1 m -128.63 134.83 48.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -49.49 -40.18 36.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.596 HG22 ' HB3' ' B' ' 331' ' ' SER . 2.0 t -48.6 -49.25 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . 0.516 ' N ' HG23 ' B' ' 333' ' ' THR . 8.7 m -60.53 -50.82 72.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 1.6 tp -50.16 -45.57 53.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -78.78 14.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -102.6 -37.02 8.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 1.193 HD22 ' O ' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -126.94 136.05 28.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.639 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . 0.634 ' O ' ' CD2' ' B' ' 338' ' ' LEU . 52.2 Cg_exo -47.9 147.16 7.79 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.84 2.36 . . . . 0.0 112.077 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -73.6 -22.27 60.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.16 -42.92 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.453 ' HD3' ' HB2' ' B' ' 339' ' ' PRO . 3.8 mpt_? -77.0 -4.09 42.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' B' ' 343' ' ' LEU . 23.0 tp -97.18 100.08 11.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.485 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.582 ' O ' ' HB1' ' B' ' 181' ' ' ALA . 17.4 m -107.25 14.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.624 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 160.77 144.91 4.13 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.74 HG13 HG23 ' B' ' 368' ' ' THR . 3.6 p -138.63 152.45 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 0.0 110.606 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . 0.449 HG13 HG12 ' B' ' 326' ' ' VAL . 0.8 OUTLIER -144.74 126.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.558 HG12 ' H ' ' B' ' 350' ' ' ASP . 15.6 t -111.03 154.72 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -87.63 -31.84 19.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.665 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.558 ' H ' HG12 ' B' ' 348' ' ' VAL . 58.6 t0 -142.8 -102.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.558 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 25.71 72.34 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . 0.759 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -90.75 178.52 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.606 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 89.8 -174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.604 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . 0.553 ' O ' ' O ' ' B' ' 355' ' ' SER . 38.1 m-20 -62.72 -42.46 99.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . 0.553 ' O ' ' O ' ' B' ' 354' ' ' ASN . 0.1 OUTLIER 54.65 148.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.52 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' B' ' 360' ' ' MET . 29.8 mt-30 -67.59 -41.26 84.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . 0.42 ' HB1' HD22 ' B' ' 330' ' ' LEU . . . -80.9 -48.64 12.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.625 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' B' ' 354' ' ' ASN . . . -53.72 -48.36 69.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.52 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.47 HG23 ' N ' ' B' ' 360' ' ' MET . 15.0 tt -61.79 -40.52 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . 0.47 ' N ' HG23 ' B' ' 359' ' ' ILE . 55.6 mtm -69.74 -44.04 71.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.521 HG12 ' N ' ' B' ' 362' ' ' ARG . 0.5 OUTLIER -62.63 -42.06 94.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.622 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.521 ' N ' HG12 ' B' ' 361' ' ' VAL . 2.8 mtt180 -62.65 -45.12 94.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.51 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.417 ' HB3' ' OE1' ' B' ' 235' ' ' GLN . . . -66.04 -27.88 68.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' B' ' 364' ' ' LEU . 4.9 tp -69.78 -26.18 64.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 89.44 31.21 11.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 2.2 mm -105.58 122.7 41.83 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.29 129.64 16.17 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.841 2.36 . . . . 0.0 112.205 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . 0.74 HG23 HG13 ' B' ' 346' ' ' VAL . 98.3 m -148.69 151.26 34.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 4.0 p -146.95 149.37 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.546 ' O ' ' N ' ' B' ' 174' ' ' LEU . 2.3 mtt -133.47 163.54 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 107.52 2.52 35.14 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.03 109.09 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 110.548 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . 0.636 ' C ' HD13 ' B' ' 374' ' ' ILE . 22.1 p30 -99.46 34.3 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.737 ' N ' HD13 ' B' ' 374' ' ' ILE . 0.0 OUTLIER -105.37 163.86 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.553 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 20.1 mp0 -80.68 118.66 73.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.608 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.44 -40.79 29.37 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.846 2.364 . . . . 0.0 112.122 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 35.3 t -53.3 -54.89 29.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.597 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 69.4 t -57.51 -42.05 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.414 ' C ' ' H ' ' B' ' 381' ' ' ARG . 3.9 mp -64.4 -35.9 82.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.706 ' CG ' ' O ' ' B' ' 380' ' ' HIS . 6.6 t60 -76.86 39.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.567 ' C ' ' HG2' ' B' ' 382' ' ' ARG . 0.3 OUTLIER -161.3 12.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.519 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . 0.567 ' HG2' ' C ' ' B' ' 381' ' ' ARG . 13.9 mmt85 -148.05 175.52 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 21.8 m -84.61 141.94 30.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.621 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.758 ' C ' HD13 ' B' ' 385' ' ' ILE . 13.2 mt -115.08 140.47 49.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.444 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . 0.758 HD13 ' C ' ' B' ' 384' ' ' LEU . 0.2 OUTLIER -130.46 95.54 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.533 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.1 141.78 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.695 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.678 ' O ' ' N ' ' B' ' 391' ' ' GLY . 60.1 t0 -139.16 81.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.587 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -51.61 -39.46 45.83 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -55.5 -50.99 68.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.572 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . 0.478 ' NH1' HD11 ' B' ' 394' ' ' LEU . 34.5 ttp180 -93.95 -11.89 29.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 55.0 47.06 75.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . 0.47 ' CD ' ' O ' ' B' ' 171' ' ' ILE . 1.0 OUTLIER -127.17 160.53 30.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.712 0.291 . . . . 0.0 110.581 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.45 ' C ' HD22 ' B' ' 394' ' ' LEU . 12.3 tp -125.23 115.48 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.961 HD22 ' N ' ' B' ' 394' ' ' LEU . 1.4 mm? -96.69 154.77 17.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.587 ' O ' ' C ' ' B' ' 396' ' ' ASP . 18.4 m -123.28 91.07 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' B' ' 395' ' ' VAL . 16.6 p-10 23.72 56.21 0.3 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.529 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 40.4 Cg_endo . . . . . 0 C--N 1.306 -1.683 0 C-N-CA 122.737 2.291 . . . . 0.0 112.152 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.5 t -84.6 159.16 20.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.573 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.536 HG21 ' OE2' ' A' ' 72' ' ' GLU . 69.0 t -133.2 120.36 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.6 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 5' ' ' GLN . 46.6 pttt -127.61 171.24 11.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.641 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 62.8 mt-30 -158.82 135.0 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.461 HG22 ' OE2' ' A' ' 8' ' ' GLU . 73.9 m -81.95 124.29 29.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.4 t -125.16 127.08 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.461 ' OE2' HG22 ' A' ' 6' ' ' THR . 2.8 mm-40 -83.43 125.92 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.7 mt -88.95 105.29 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 1.24 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 57.6 p -83.4 56.62 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 1.24 ' OD1' ' O ' ' A' ' 10' ' ' THR . 2.6 p-10 63.83 24.57 13.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -165.58 99.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 13' ' ' LEU . 1.1 tm? -61.03 -11.54 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.564 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.45 -89.7 0.11 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.643 ' O ' ' N ' ' A' ' 17' ' ' ALA . 10.1 mtm -133.57 -164.74 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.585 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.704 ' C ' ' H ' ' A' ' 18' ' ' ARG . 8.0 t-80 -58.08 68.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.56 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.643 ' N ' ' O ' ' A' ' 15' ' ' MET . . . 55.88 -7.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.503 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.704 ' H ' ' C ' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -43.77 -53.1 13.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.621 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 51.8 Cg_exo -47.87 -49.17 14.27 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.796 2.331 . . . . 0.0 112.166 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.05 87.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.432 ' SD ' HD12 ' B' ' 244' ' ' LEU . 10.2 tpt -64.94 -40.68 95.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.502 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -64.06 -37.71 88.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.818 HD21 HG12 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -50.22 -45.54 53.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -56.92 -39.45 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.566 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -73.85 -33.91 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.65 -43.12 81.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.49 ' SD ' HG12 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -54.6 -33.68 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -79.26 -34.58 42.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.67 -31.05 41.78 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -106.04 153.24 22.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.511 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 10.2 m-20 -97.38 94.1 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 167.64 155.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 2.3 mm-40 -100.3 130.23 46.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.808 HG11 HD12 ' A' ' 23' ' ' LEU . 8.7 p -107.37 132.87 53.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -134.53 136.38 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.802 ' N ' HD12 ' A' ' 36' ' ' LEU . 3.6 mp -106.06 151.23 24.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -147.72 133.87 19.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.658 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.942 ' ND2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -91.02 156.12 18.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.63 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -53.21 -28.45 26.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.659 ' CA ' HD21 ' A' ' 38' ' ' ASN . 2.9 tp10 -67.47 -10.22 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.609 ' N ' ' ND2' ' A' ' 38' ' ' ASN . . . 91.53 12.32 59.74 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.942 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 68.7 m -85.21 116.57 23.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.643 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.488 ' OE1' ' CG ' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -77.47 103.65 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.569 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.641 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.9 64.98 6.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' CG ' ' OE1' ' A' ' 43' ' ' GLU . 41.8 mt-10 -40.26 121.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.705 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -63.16 -9.7 12.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.727 ' C ' HD22 ' A' ' 47' ' ' ASN . 0.3 OUTLIER -99.81 27.54 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -145.63 124.48 12.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.559 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 p -64.13 -36.13 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.52 HG12 ' N ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -61.29 -37.15 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.641 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.21 -42.01 93.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 52' ' ' LEU . 93.1 mt -59.55 -38.39 80.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.183 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -65.82 -33.49 75.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.601 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.955 ' N ' HD13 ' A' ' 53' ' ' LEU . 1.2 tpt -71.81 -34.67 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD21 ' HG ' ' A' ' 13' ' ' LEU . 3.3 tt -64.86 -34.46 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.594 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -34.79 61.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.88 -6.62 51.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.708 ' HB2' HH11 ' A' ' 61' ' ' ARG . . . -83.25 28.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.612 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -68.72 97.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.01 5.89 40.43 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.708 HH11 ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -105.83 165.27 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.549 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.91 142.47 30.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 38' ' ' ASN . 40.6 pt -130.17 162.34 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.584 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.684 ' O ' ' OE1' ' A' ' 66' ' ' GLU . 41.8 tt0 -124.55 100.82 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.503 ' HB ' HD21 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -80.56 128.23 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.538 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.684 ' OE1' ' O ' ' A' ' 64' ' ' GLU . 3.9 pm0 -120.88 138.01 54.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.554 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.54 131.92 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.465 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 73.1 m -124.91 128.28 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 72' ' ' GLU . . . 142.84 162.54 9.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -47.28 -45.82 21.26 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.828 2.352 . . . . 0.0 112.124 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.7 mp0 -92.76 5.26 51.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.655 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.586 ' OE1' ' C ' ' A' ' 72' ' ' GLU . 1.3 pp20? -35.57 -38.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 5.9 tp10 -63.98 -49.56 72.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.548 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' GLN . 14.3 mp0 -56.96 -51.17 70.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.621 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.019 ' O ' HG13 ' A' ' 79' ' ' VAL . . . -56.04 -49.36 73.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.952 ' O ' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -64.67 -44.11 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.531 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.0 99.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.48 -43.9 98.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.019 HG13 ' O ' ' A' ' 75' ' ' ALA . 2.5 m -66.44 -42.75 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -64.72 -41.75 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.472 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.521 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.73 -35.3 80.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.457 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 36.6 mt -74.16 -37.73 63.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.507 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.475 ' N ' ' CD2' ' A' ' 83' ' ' PHE . 10.3 m-30 -69.78 -31.87 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.458 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 85' ' ' SER . 93.0 m-20 -82.39 -3.46 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.57 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . 0.525 ' HB ' HD23 ' B' ' 393' ' ' LEU . 4.7 mp -126.32 150.04 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.6 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.539 HH12 ' CZ ' ' B' ' 390' ' ' ARG . 7.5 mmt180 -100.95 128.03 47.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.958 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -128.39 158.72 37.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.552 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.472 ' O ' ' HG3' ' B' ' 370' ' ' MET . 11.8 mt -69.8 115.62 35.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.88 102.0 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.78 2.32 . . . . 0.0 112.139 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -78.1 -35.83 48.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.464 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -143.25 135.79 13.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.66 148.35 46.95 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.72 2.28 . . . . 0.0 112.132 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 130.09 164.3 11.32 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . 0.458 HG12 ' N ' ' B' ' 181' ' ' ALA . 61.3 t -105.03 156.46 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.568 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . 0.458 ' N ' HG12 ' B' ' 180' ' ' VAL . . . -146.78 126.23 13.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.619 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . 0.569 HG23 ' O ' ' B' ' 182' ' ' ILE . 17.2 tt -132.71 119.52 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.56 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 175.9 -178.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.466 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -77.83 152.33 33.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.619 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -92.14 142.34 15.99 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . 0.48 ' CE3' ' O ' ' B' ' 187' ' ' GLN . 9.9 t90 -148.82 140.52 23.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 110.617 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . 0.48 ' O ' ' CE3' ' B' ' 186' ' ' TRP . 16.6 pt20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . 0.752 ' C ' HD13 ' B' ' 203' ' ' LEU . 3.4 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 1.194 HD13 ' N ' ' B' ' 203' ' ' LEU . 0.0 OUTLIER -86.09 142.26 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.461 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.772 ' HB2' ' HG2' ' B' ' 208' ' ' GLU . 75.9 m-20 -147.72 101.9 3.69 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -70.59 -2.82 11.38 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.629 2.22 . . . . 0.0 112.061 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -113.24 -39.0 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.483 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . 0.858 ' O ' ' HB3' ' B' ' 211' ' ' ARG . 0.8 OUTLIER -88.91 -33.57 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.772 ' HG2' ' HB2' ' B' ' 204' ' ' ASP . 69.2 mm-40 -76.51 -44.64 34.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -70.34 -48.34 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.637 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . 0.421 ' O ' HG22 ' B' ' 213' ' ' THR . 6.7 tm-20 -67.25 -43.37 82.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.456 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.858 ' HB3' ' O ' ' B' ' 207' ' ' LEU . 0.1 OUTLIER -64.13 -33.45 75.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.452 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.604 ' N ' ' HG3' ' B' ' 211' ' ' ARG . 2.1 mt -69.24 -62.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.499 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . 0.621 HG23 ' N ' ' B' ' 214' ' ' GLY . 6.2 t -45.02 -50.49 10.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . 0.621 ' N ' HG23 ' B' ' 213' ' ' THR . . . -57.68 -37.19 82.29 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.14 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.496 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.726 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.9 mp -54.24 -49.87 68.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 0.7 OUTLIER -50.66 -35.88 32.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.442 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.62 -38.22 48.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -85.77 -50.62 7.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.68 -49.34 73.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.562 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.63 ' C ' ' HE ' ' B' ' 225' ' ' ARG . 96.9 m-20 -63.0 -34.74 78.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.476 ' OE2' ' CZ ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -60.78 -43.16 98.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . 0.433 ' N ' ' HG2' ' B' ' 222' ' ' GLU . 24.5 m-85 -64.92 -45.87 84.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.655 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . 0.535 ' NH1' ' OD1' ' B' ' 221' ' ' ASN . 5.0 mtp180 -65.67 -37.53 86.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.478 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . 0.63 ' HE ' ' C ' ' B' ' 221' ' ' ASN . 80.3 mtm180 -71.72 -32.13 67.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 8.1 m-30 -64.91 -52.51 56.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.477 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 2.2 p -53.74 -50.44 65.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.457 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -40.44 75.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -71.91 -41.7 67.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.528 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' B' ' 234' ' ' ALA . 21.2 m-85 -69.62 -41.42 75.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.632 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -50.46 -33.5 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.471 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.62 -22.64 62.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -129.87 -65.65 0.11 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -51.27 164.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.486 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.581 HE21 ' HB3' ' B' ' 237' ' ' GLU . 8.7 pt20 -71.44 -176.62 1.58 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -72.94 -38.67 66.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.505 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.581 ' HB3' HE21 ' B' ' 235' ' ' GLN . 41.3 tt0 -47.18 -54.94 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.479 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -52.5 -61.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.613 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -50.99 -41.8 59.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.21 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' B' ' 238' ' ' THR . 5.8 mm -66.21 -66.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.504 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.574 ' O ' ' N ' ' B' ' 245' ' ' TYR . 11.1 m-85 -54.49 -60.83 2.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' B' ' 242' ' ' PHE . 63.9 t0 -35.33 -41.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' B' ' 244' ' ' LEU . 14.4 tp -67.56 -41.27 84.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' B' ' 242' ' ' PHE . 19.5 m-30 -63.2 -48.17 79.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.575 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.9 -46.74 52.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.614 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -70.66 -34.01 71.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.537 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.864 HD12 ' O ' ' B' ' 248' ' ' LEU . 0.1 OUTLIER -69.12 -39.41 78.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.604 ' N ' ' HG ' ' B' ' 248' ' ' LEU . 16.9 tp -75.88 -42.39 49.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.628 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 88.6 p -71.99 -14.22 61.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.799 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 44.9 p30 -51.89 133.32 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 71.0 p -60.55 -2.31 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.467 ' H ' ' C ' ' B' ' 251' ' ' ASP . 48.4 ttt85 -77.88 -49.36 14.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.537 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . 0.439 HD23 ' O ' ' B' ' 254' ' ' LEU . 2.1 tt -73.23 -45.73 54.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.558 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.426 HH21 ' HD2' ' B' ' 255' ' ' ARG . 9.3 ttm180 -57.45 -48.62 78.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -56.97 -43.09 81.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.594 ' OE2' ' CZ ' ' B' ' 279' ' ' PHE . 27.4 mt-10 -56.61 -45.9 81.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.61 HD23 HG21 ' B' ' 275' ' ' VAL . 80.2 mt -54.39 -60.98 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -57.24 -34.32 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.32 92.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -69.04 -40.45 78.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 64.4 t -66.83 -38.34 81.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -58.96 -17.16 22.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.527 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -93.22 -19.51 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.534 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 119.95 30.3 1.51 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 34.0 m -107.35 156.57 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.54 143.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.675 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -53.39 -59.1 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.541 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' B' ' 268' ' ' ALA . 2.5 mp0 -32.2 -50.41 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 -35.28 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.607 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -54.42 -46.44 73.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.862 ' O ' HG23 ' B' ' 276' ' ' ILE . 18.8 m -67.21 -30.77 50.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -74.64 -42.97 57.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 93.5 m -66.58 -52.26 47.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.61 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.61 HG21 HD23 ' B' ' 258' ' ' LEU . 71.2 t -52.73 -58.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.862 HG23 ' O ' ' B' ' 272' ' ' VAL . 28.4 pt -56.18 -39.51 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.587 ' N ' HG13 ' B' ' 276' ' ' ILE . 43.3 tp10 -66.72 -38.23 86.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' B' ' 282' ' ' GLN . 5.2 ttpt -76.68 -22.07 54.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . 0.594 ' CZ ' ' OE2' ' B' ' 257' ' ' GLU . 0.6 OUTLIER -85.41 -34.8 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.622 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . 0.675 ' O ' ' CB ' ' B' ' 284' ' ' ALA . . . -72.76 -34.34 66.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.665 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' B' ' 281' ' ' GLU . 0.2 OUTLIER -78.58 -42.32 29.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . 0.528 ' HB3' ' CE2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -46.76 -56.2 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.528 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.644 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -79.01 -42.36 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.649 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . 0.71 ' HB2' ' CB ' ' B' ' 295' ' ' ALA . . . -61.27 6.94 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . 0.577 ' H ' ' C ' ' B' ' 283' ' ' PHE . . . -104.54 -3.49 23.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 1.056 HD22 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -86.23 -167.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.653 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 78.2 p -109.28 -24.45 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.452 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.711 ' O ' ' HB2' ' B' ' 292' ' ' LYS . 4.1 m-20 -50.88 100.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.668 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -70.9 -43.03 69.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . 0.576 ' CD2' ' CD2' ' B' ' 291' ' ' LEU . 5.1 t80 -60.41 -31.51 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.436 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.953 ' HB3' HD23 ' A' ' 53' ' ' LEU . 3.6 mm? -102.61 -34.49 9.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.711 ' HB2' ' O ' ' B' ' 288' ' ' ASP . 3.1 tttp -41.8 -52.98 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . 0.502 ' CD ' HE21 ' B' ' 356' ' ' GLN . 4.8 tt0 -43.27 -29.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.597 ' HB2' ' O ' ' B' ' 291' ' ' LEU . 9.4 tpp180 -40.24 -43.1 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.351 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . 0.71 ' CB ' ' HB2' ' B' ' 284' ' ' ALA . . . -57.59 -45.79 84.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.316 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -53.84 -45.39 70.28 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.511 ' CG ' ' OH ' ' B' ' 245' ' ' TYR . 3.7 m-20 -62.71 -39.03 92.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 110.284 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . 0.445 HD11 ' CD2' ' B' ' 248' ' ' LEU . 6.0 mp -60.29 -49.48 77.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.3 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -54.04 -44.82 71.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.216 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.432 ' CB ' HG21 ' B' ' 333' ' ' THR . . . -63.96 -38.22 90.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.173 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.546 HD21 HD13 ' B' ' 249' ' ' LEU . 4.1 tt -63.85 -40.3 96.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.205 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.23 -41.86 99.62 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.34 -41.66 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.476 ' CZ ' ' OE2' ' B' ' 222' ' ' GLU . 1.5 mmm180 -68.55 -41.6 79.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.237 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.77 -39.74 84.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.296 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . 0.514 HD23 ' O ' ' B' ' 306' ' ' LEU . 2.4 tt -69.07 -38.73 79.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.399 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . 0.542 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.9 m-85 -68.88 -41.64 78.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.425 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . 0.452 ' C ' ' N ' ' B' ' 310' ' ' ASP . 42.2 m-70 -70.92 -28.38 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' B' ' 309' ' ' LEU . 9.4 tp -48.63 -13.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.524 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . 0.542 ' OD1' ' O ' ' B' ' 307' ' ' PHE . 0.0 OUTLIER -133.84 92.17 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' B' ' 310' ' ' ASP . 90.6 m-20 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.478 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.728 ' O ' ' HD1' ' B' ' 323' ' ' PHE . 20.7 mmm-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.728 ' HD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER -150.24 154.01 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.599 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.56 HG13 ' HB3' ' B' ' 183' ' ' ALA . 56.4 mt -115.78 137.44 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.653 ' C ' HD23 ' B' ' 325' ' ' LEU . 6.9 tt -94.56 122.69 37.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.647 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.562 ' N ' HD23 ' B' ' 325' ' ' LEU . 34.4 t -119.25 118.51 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -140.24 136.9 33.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 51.7 p30 -64.27 -20.48 66.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.471 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' B' ' 330' ' ' LEU . 13.3 tm-20 -138.74 138.29 37.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.556 HD21 ' CG1' ' B' ' 348' ' ' VAL . 98.5 mt -82.78 118.86 23.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.4 122.07 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.431 ' N ' ' HB2' ' B' ' 357' ' ' ALA . . . -60.51 -41.88 95.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.432 HG21 ' CB ' ' B' ' 300' ' ' ALA . 1.2 t -52.89 -33.57 50.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.61 -50.18 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' B' ' 337' ' ' GLU . 5.5 mp -61.42 -23.15 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.602 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.41 11.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.693 ' C ' HD22 ' B' ' 338' ' ' LEU . 39.5 mt-10 -106.74 -34.23 7.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.845 ' N ' HD22 ' B' ' 338' ' ' LEU . 2.7 mm? -104.73 141.74 23.18 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.77 162.18 41.85 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.753 2.302 . . . . 0.0 112.157 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -70.64 -16.16 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.35 -39.75 64.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.472 HH11 HD23 ' B' ' 343' ' ' LEU . 0.1 OUTLIER -80.54 -25.63 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.566 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.472 HD23 HH11 ' B' ' 342' ' ' ARG . 90.4 mt -79.19 102.72 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 1.1 m -116.03 4.15 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 177.94 151.35 9.25 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 69.1 t -135.36 145.52 31.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.341 . . . . 0.0 110.6 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 61.9 t -147.13 120.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.556 ' CG1' HD21 ' B' ' 330' ' ' LEU . 0.4 OUTLIER -119.26 153.03 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.512 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . 0.402 ' N ' HG23 ' B' ' 348' ' ' VAL . 36.9 ttm-85 -86.25 -42.33 13.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.537 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.424 ' O ' ' CG2' ' B' ' 348' ' ' VAL . 5.3 p-10 -133.53 -116.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.548 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.417 ' N ' ' OD2' ' B' ' 350' ' ' ASP . . . 64.3 160.24 0.39 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -69.2 153.42 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.11 -11.1 55.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -131.56 47.25 2.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 5.3 p -85.51 165.73 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . 0.502 HE21 ' CD ' ' B' ' 293' ' ' GLU . 16.0 pt20 -54.88 -37.47 66.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . 0.431 ' HB2' ' N ' ' B' ' 332' ' ' ALA . . . -77.88 -33.73 51.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.636 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.96 99.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.576 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.417 HG22 ' O ' ' B' ' 356' ' ' GLN . 8.9 tt -73.74 -24.89 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.494 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . 0.431 ' O ' HD23 ' B' ' 364' ' ' LEU . 12.0 ttt -70.19 -48.28 57.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.642 HG11 ' OG1' ' B' ' 368' ' ' THR . 46.1 t -66.48 -44.35 90.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' B' ' 363' ' ' ALA . 0.0 OUTLIER -60.98 -46.43 90.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.628 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.543 ' N ' ' HG2' ' B' ' 362' ' ' ARG . . . -66.27 -29.25 69.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.581 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . 0.431 HD23 ' O ' ' B' ' 360' ' ' MET . 0.8 OUTLIER -66.75 -26.8 67.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.507 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.49 22.14 24.99 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . 0.766 HG23 ' HD2' ' B' ' 367' ' ' PRO . 1.3 mm -104.35 143.22 26.25 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . 0.766 ' HD2' HG23 ' B' ' 366' ' ' ILE . 50.3 Cg_endo -72.65 131.09 16.76 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.892 2.395 . . . . 0.0 112.083 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . 0.642 ' OG1' HG11 ' B' ' 361' ' ' VAL . 69.6 m -144.74 147.95 33.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.52 148.64 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.958 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 0.1 OUTLIER -126.6 167.11 16.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 92.47 -1.14 72.04 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -54.95 114.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' B' ' 373' ' ' ASP . 25.6 p-10 -83.66 27.36 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.619 HG21 HD21 ' B' ' 379' ' ' LEU . 25.5 mm -112.23 126.25 69.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -83.5 131.97 51.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . 0.641 ' HA ' HD12 ' B' ' 379' ' ' LEU . 52.8 Cg_exo -47.7 -28.24 9.15 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.858 2.372 . . . . 0.0 112.002 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 37.7 t -52.21 -48.8 64.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . 0.43 HG12 ' O ' ' B' ' 378' ' ' VAL . 3.5 t -88.71 27.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.614 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.649 ' O ' ' C ' ' B' ' 380' ' ' HIS . 96.9 mt -124.94 -19.67 5.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.565 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.738 ' CD2' ' H ' ' B' ' 381' ' ' ARG . 2.5 p-80 15.66 -85.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.738 ' H ' ' CD2' ' B' ' 380' ' ' HIS . 0.1 OUTLIER -140.85 24.29 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.683 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.76 168.52 4.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 1.7 m -78.47 129.14 34.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.572 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' B' ' 384' ' ' LEU . 5.1 mt -119.82 136.51 54.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.592 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 96.7 mt -136.58 110.75 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.532 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 18.8 m -124.79 158.59 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.629 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.5 t0 -138.37 108.84 6.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -54.95 -37.25 62.04 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -60.14 -50.65 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . 0.539 ' CZ ' HH12 ' B' ' 172' ' ' ARG . 15.6 mmm180 -88.49 -8.14 55.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.582 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 47.23 49.87 18.13 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . 1.009 ' C ' HD13 ' B' ' 393' ' ' LEU . 1.5 pm0 -133.26 164.34 27.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.658 0.266 . . . . 0.0 110.659 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 1.129 ' N ' HD22 ' B' ' 393' ' ' LEU . 0.0 OUTLIER -126.22 130.83 51.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.567 HD23 ' HG3' ' B' ' 397' ' ' PRO . 6.9 mp -108.53 150.16 27.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.621 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.903 ' O ' ' OD1' ' B' ' 396' ' ' ASP . 15.0 p -123.74 102.59 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.502 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.903 ' OD1' ' O ' ' B' ' 395' ' ' VAL . 11.3 p30 29.93 50.1 0.37 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.651 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.3 Cg_endo . . . . . 0 C--N 1.305 -1.72 0 C-N-CA 122.764 2.309 . . . . 0.0 112.23 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.634 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.561 HG22 ' OG1' ' A' ' 68' ' ' THR . 67.7 p -82.92 158.19 22.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.661 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -132.43 117.83 33.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -125.62 173.17 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -162.73 133.58 4.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.46 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.427 ' CG2' ' CD ' ' A' ' 62' ' ' GLN . 24.7 m -78.74 129.42 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.652 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.4 t -130.3 123.67 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.436 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -80.13 127.89 32.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.9 mt -91.22 105.43 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.535 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 1.187 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 88.6 m -83.59 58.01 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 1.187 ' OD1' ' O ' ' A' ' 10' ' ' THR . 24.1 p30 61.97 24.36 14.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -164.8 99.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.522 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.729 ' H ' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -64.45 -3.71 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.46 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 16' ' ' HIS . . . 145.29 -144.45 13.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.52 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -64.36 3.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 110.515 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.649 ' NE2' ' CE2' ' B' ' 290' ' ' TYR . 5.5 t-160 75.44 106.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.767 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 67.99 -59.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.719 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.4 mpt_? -34.05 -46.43 0.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.767 ' HD2' ' C ' ' A' ' 17' ' ' ALA . 37.0 Cg_endo -68.95 -38.16 10.06 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.692 2.262 . . . . 0.0 112.115 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -71.89 -39.95 69.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 21' ' ' MET . 15.9 tmm? -72.91 -38.12 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.579 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -64.24 -36.54 84.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 23' ' ' LEU . 10.9 tp -50.28 -44.18 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -39.35 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -73.78 -35.14 64.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.704 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.888 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 6.1 mp -67.89 -41.25 83.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.821 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 51.9 ttm -58.12 -29.26 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.647 HE22 ' CE1' ' B' ' 247' ' ' HIS . 61.1 mt-30 -86.45 -28.12 23.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.08 -24.12 42.23 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.888 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 2.0 p90 -120.9 138.78 53.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.717 0.294 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.736 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.2 m-20 -80.19 110.65 15.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.746 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.17 148.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.512 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -98.63 127.46 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 23' ' ' LEU . 55.6 t -105.68 134.01 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.487 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 34' ' ' VAL . 67.9 mt -135.43 136.94 41.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.67 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 3.4 mp -107.25 150.62 26.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.472 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -147.84 134.44 19.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.686 HD21 HD12 ' A' ' 55' ' ' LEU . 3.3 m120 -90.4 156.56 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.42 -27.64 25.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.51 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 10.8 mm-40 -68.15 -10.45 54.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.94 12.13 59.42 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -84.75 116.68 23.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -77.55 103.93 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.631 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -90.14 65.12 6.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.633 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -40.62 121.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.658 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -63.28 -9.55 12.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.476 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -99.88 28.54 4.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.11 123.61 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.521 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.7 p -63.74 -35.54 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 51' ' ' ALA . 20.4 tt -61.45 -36.28 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.637 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.631 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.08 -43.3 87.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -58.2 -37.84 75.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.009 HD23 ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -65.62 -35.45 80.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 1.009 ' N ' HD23 ' A' ' 53' ' ' LEU . 1.7 tmt? -69.54 -35.64 75.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.686 HD12 HD21 ' A' ' 38' ' ' ASN . 4.8 tp -63.74 -36.37 83.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.914 ' OD2' HD11 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -52.06 -35.38 47.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.9 p -76.07 -6.35 50.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.448 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.34 28.84 0.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -68.93 97.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.05 6.04 40.14 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.51 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -107.12 163.6 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.743 0.306 . . . . 0.0 110.561 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.427 ' CD ' ' CG2' ' A' ' 6' ' ' THR . 38.4 tt0 -96.58 144.34 26.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.1 pt -131.59 161.93 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.49 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 29.2 mt-10 -123.38 101.56 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.75 126.71 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.506 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -119.25 139.35 52.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.22 130.59 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.561 ' OG1' HG22 ' A' ' 2' ' ' THR . 52.8 m -123.78 129.61 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.545 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.79 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.53 161.45 8.73 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -46.66 -46.12 18.5 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.791 2.327 . . . . 0.0 112.109 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -92.42 5.62 50.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.515 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.79 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 5.2 pm0 -36.18 -37.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 20.3 pt-20 -63.85 -49.84 71.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 55.9 tt0 -56.4 -53.45 57.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 34' ' ' VAL . . . -53.74 -49.82 67.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.219 ' O ' HG23 ' A' ' 80' ' ' ILE . 56.7 tp -64.51 -44.6 90.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.9 ' O ' HG12 ' A' ' 80' ' ' ILE . . . -61.9 -42.74 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.43 98.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.96 -43.16 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.631 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.219 HG23 ' O ' ' A' ' 76' ' ' LEU . 5.3 pt -64.0 -41.33 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.553 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.505 ' N ' ' CG1' ' A' ' 80' ' ' ILE . . . -63.85 -36.6 84.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -35.56 66.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.573 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.9 m-85 -71.72 -32.74 68.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 85' ' ' SER . 86.5 m-20 -82.53 -3.33 55.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.593 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 84' ' ' ASN . 9.4 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 4.3 mp -113.97 128.24 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -84.08 108.85 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.528 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -110.77 159.92 17.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.3 116.46 57.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.79 110.75 3.09 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.791 2.327 . . . . 0.0 112.185 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -86.41 -33.01 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.527 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.28 115.17 3.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.6 156.05 1.25 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.855 2.37 . . . . 0.0 112.144 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 123.33 164.72 12.13 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.2 m -120.95 133.5 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.544 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -124.0 131.98 53.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . 0.633 ' N ' HD13 ' B' ' 182' ' ' ILE . 0.0 OUTLIER -124.45 121.28 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.456 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.438 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 177.71 177.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -84.19 168.87 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.584 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.52 149.66 19.18 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -149.66 154.31 38.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.57 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.603 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . 0.421 ' O ' HG23 ' B' ' 202' ' ' THR . 5.7 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.785 0.326 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.38 127.06 34.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.795 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 11.1 p-10 -153.93 98.0 2.63 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.547 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 34.6 Cg_endo -67.9 -37.22 15.98 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.745 2.297 . . . . 0.0 112.055 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.35 89.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.496 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.8 -37.9 12.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.455 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.795 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 67.0 mm-40 -70.9 -58.66 3.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . 0.684 HH22 HH22 ' B' ' 256' ' ' ARG . 0.0 OUTLIER -52.79 -48.99 66.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.487 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . 0.494 ' O ' HG22 ' B' ' 213' ' ' THR . 82.8 tt0 -62.33 -36.37 81.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.498 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.673 ' CB ' HH21 ' B' ' 211' ' ' ARG . 0.0 OUTLIER -59.1 -39.86 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.475 ' O ' HD23 ' B' ' 216' ' ' LEU . 19.4 tp -66.51 -59.93 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.488 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . 0.604 ' CG2' ' N ' ' B' ' 214' ' ' GLY . 0.6 OUTLIER -47.66 -46.53 29.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . 0.604 ' N ' ' CG2' ' B' ' 213' ' ' THR . . . -66.12 -36.45 91.9 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.64 -41.9 68.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.544 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' B' ' 220' ' ' ALA . 3.0 mm? -59.69 -44.89 93.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 63.4 mm-40 -59.34 -34.62 72.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -77.1 -30.85 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.444 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -93.79 -48.5 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.705 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -57.3 -49.75 75.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 88.7 m-20 -64.65 -31.88 73.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.66 ' HG2' ' CE1' ' B' ' 226' ' ' TYR . 1.0 OUTLIER -78.65 -26.47 45.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . 0.576 ' CE2' ' CE2' ' B' ' 242' ' ' PHE . 0.2 OUTLIER -77.88 -36.36 49.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.491 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . 0.585 ' CZ ' HH22 ' B' ' 225' ' ' ARG . 53.2 mtp180 -72.68 -45.06 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . 0.585 HH22 ' CZ ' ' B' ' 224' ' ' ARG . 3.0 mpt_? -74.33 -22.43 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.66 ' CE1' ' HG2' ' B' ' 222' ' ' GLU . 2.0 m-85 -72.37 -52.29 16.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . 0.741 ' HB3' ' CD2' ' B' ' 242' ' ' PHE . 9.8 p -73.29 -34.58 65.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.52 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' B' ' 224' ' ' ARG . 3.8 mtpp -58.15 -53.22 60.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' B' ' 226' ' ' TYR . 8.5 ptm180 -67.17 -38.0 84.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.543 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' B' ' 234' ' ' ALA . 0.6 OUTLIER -58.29 -47.17 84.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.63 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -53.58 -37.09 62.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.445 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.11 -20.3 16.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.518 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -125.25 -53.54 0.17 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -65.46 -166.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.63 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.654 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 4.4 tt0 -88.66 163.6 15.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . 0.654 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 3.8 tttt -64.16 -22.22 66.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -54.14 -44.56 71.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.411 ' O ' HG22 ' B' ' 241' ' ' ILE . 26.9 m -57.04 -57.91 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -56.4 -43.6 79.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . 0.437 ' CB ' ' NH1' ' A' ' 18' ' ' ARG . . . -59.15 -45.8 90.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.553 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.698 ' CG2' ' N ' ' B' ' 242' ' ' PHE . 1.6 tp -72.32 -53.32 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.741 ' CD2' ' HB3' ' B' ' 227' ' ' SER . 0.4 OUTLIER -59.88 -57.76 11.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' B' ' 239' ' ' ALA . 33.8 t70 -40.19 -35.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.421 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -43.44 61.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.609 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.543 ' CZ ' ' CB ' ' B' ' 297' ' ' ASP . 32.1 m-85 -65.78 -46.74 77.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 70.4 p -50.16 -42.12 50.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.647 ' CE1' HE22 ' A' ' 28' ' ' GLN . 0.5 OUTLIER -75.64 -28.75 58.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' B' ' 248' ' ' LEU . 0.2 OUTLIER -78.53 -50.39 11.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.615 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.634 HD11 HD11 ' B' ' 305' ' ' LEU . 40.1 tp -57.13 -47.72 80.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . 0.575 ' O ' ' NH2' ' B' ' 255' ' ' ARG . 98.9 p -78.56 -9.01 59.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.586 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' B' ' 253' ' ' ARG . 67.7 t0 -48.03 121.99 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.606 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . 0.598 HG22 ' NH1' ' B' ' 255' ' ' ARG . 72.0 p -53.14 -5.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.505 ' H ' ' C ' ' B' ' 251' ' ' ASP . 13.1 ttp180 -80.25 -49.71 11.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.44 -44.98 96.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.598 ' NH1' HG22 ' B' ' 252' ' ' THR . 89.1 mtm-85 -59.52 -44.83 93.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . 0.684 HH22 HH22 ' B' ' 209' ' ' ARG . 0.0 OUTLIER -58.37 -38.85 78.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.07 -49.41 77.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.754 HD11 HG21 ' B' ' 275' ' ' VAL . 5.5 mp -61.22 -49.11 78.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.678 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.09 -35.52 73.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.573 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.81 98.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -67.06 -42.16 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.53 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 58.8 t -66.87 -35.42 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.452 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.41 -17.73 14.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.519 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -90.67 -20.23 22.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.608 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 121.17 24.83 2.37 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 44.4 t -104.11 162.67 12.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.852 0.358 . . . . 0.0 110.568 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . 0.434 HG12 ' HG2' ' B' ' 269' ' ' GLU . 2.2 t -95.19 144.0 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.565 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' B' ' 271' ' ' ALA . . . -57.67 -54.8 42.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.675 ' CD ' ' H ' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -34.18 -57.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.473 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . 0.505 ' O ' ' HG3' ' B' ' 273' ' ' LYS . 32.4 m0 -69.67 -29.9 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.537 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.938 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -70.8 -36.25 72.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.573 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.532 ' HA ' HD21 ' B' ' 258' ' ' LEU . 49.7 t -60.75 -43.08 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.571 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.513 ' HZ2' ' HB2' ' B' ' 273' ' ' LYS . 0.0 OUTLIER -80.03 -39.34 30.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 99.1 m -60.28 -54.21 48.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.604 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.938 HG22 ' O ' ' B' ' 271' ' ' ALA . 35.2 m -59.16 -42.94 88.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.596 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.515 ' N ' HG23 ' B' ' 275' ' ' VAL . 0.9 OUTLIER -67.48 -46.01 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.532 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 73.8 mm-40 -65.62 -40.53 92.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' B' ' 282' ' ' GLN . 0.0 OUTLIER -63.22 -36.62 84.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -83.11 -13.37 55.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . 0.702 ' O ' ' HB3' ' B' ' 284' ' ' ALA . . . -71.29 -37.72 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.618 ' O ' ' HB2' ' B' ' 285' ' ' ALA . 6.6 pm0 -96.83 -28.62 14.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' B' ' 278' ' ' LYS . 18.6 tt0 -61.18 -51.68 67.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -82.74 -30.24 29.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.596 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' B' ' 280' ' ' ALA . . . -81.65 2.32 30.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' B' ' 281' ' ' GLU . . . -80.42 -2.64 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.431 ' O ' ' NZ ' ' B' ' 292' ' ' LYS . 2.0 mm? -76.78 -172.76 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.48 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 78.4 p -109.88 -25.23 10.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.603 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.625 ' OD2' ' OD1' ' A' ' 56' ' ' ASP . 52.4 t0 -64.19 122.81 17.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.576 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -73.97 -29.42 61.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . 0.649 ' CE2' ' NE2' ' A' ' 16' ' ' HIS . 18.2 t80 -51.22 -42.83 61.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.583 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.914 HD11 ' OD2' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -93.55 -54.32 3.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.496 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' B' ' 284' ' ' ALA . 17.6 ttmm -39.29 -40.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.32 -38.68 90.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' B' ' 291' ' ' LEU . 1.0 OUTLIER -46.58 -24.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.534 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -41.03 -49.28 3.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -49.76 -43.18 38.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.543 ' CB ' ' CZ ' ' B' ' 245' ' ' TYR . 54.5 m-20 -65.3 -44.91 86.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.756 0.312 . . . . 0.0 110.448 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.91 -49.9 74.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.448 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 47.3 mtt85 -56.1 -38.51 70.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.457 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -60.19 -41.02 92.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.291 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.436 HD22 HD22 ' B' ' 249' ' ' LEU . 71.6 mt -58.26 -44.54 88.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.68 98.87 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -65.02 -37.49 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.393 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.488 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 5.1 mmm180 -71.09 -40.63 71.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.355 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . 0.634 HD11 HD11 ' B' ' 249' ' ' LEU . 43.6 mt -59.92 -42.3 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.316 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . 0.485 ' HA ' HD13 ' B' ' 306' ' ' LEU . 0.1 OUTLIER -63.73 -39.39 94.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.79 -46.94 79.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.441 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -75.93 -21.78 56.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.432 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 0.8 OUTLIER -83.61 -15.3 49.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.455 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -129.01 90.42 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.588 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.654 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 15.9 ptt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.83 0.347 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 90.9 m-85 -155.67 167.1 31.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.61 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.438 HG13 ' HB3' ' B' ' 183' ' ' ALA . 34.1 mt -114.72 143.17 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.63 ' CD1' HH11 ' B' ' 342' ' ' ARG . 1.2 mp -81.93 114.75 20.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 11.7 t -121.25 89.93 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -132.29 154.06 50.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.574 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 14.7 p-10 -67.4 -30.9 70.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -134.8 120.67 19.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.9 tp -103.64 131.66 50.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.5 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 4.2 m -144.06 160.62 40.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -51.2 -38.74 54.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.615 HG23 ' N ' ' B' ' 334' ' ' THR . 10.2 t -53.09 -47.21 68.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . 0.615 ' N ' HG23 ' B' ' 333' ' ' THR . 89.6 m -60.47 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.513 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -42.96 84.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -64.23 -3.23 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.642 ' C ' HD22 ' B' ' 338' ' ' LEU . 31.5 tt0 -97.43 -40.48 8.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.702 ' N ' HD22 ' B' ' 338' ' ' LEU . 3.7 mm? -103.82 146.58 32.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.483 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . 0.579 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 51.3 Cg_endo -72.97 138.41 28.33 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.777 2.318 . . . . 0.0 112.187 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -28.3 70.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.786 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 15.5 p30 -60.51 -43.93 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.592 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.786 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 0.1 OUTLIER -77.35 -18.95 56.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.589 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.494 ' N ' ' HG3' ' B' ' 342' ' ' ARG . 3.9 tp -72.53 115.85 12.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.526 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.594 HG12 ' O ' ' B' ' 344' ' ' VAL . 46.9 t -114.86 1.47 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 171.76 169.33 34.46 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 62.0 t -139.79 139.05 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 98.6 t -137.26 124.2 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.481 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' B' ' 370' ' ' MET . 3.4 t -123.69 148.67 27.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -85.44 -38.21 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.498 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' B' ' 350' ' ' ASP . 1.1 p30 -166.69 115.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.552 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.901 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . 154.78 -71.73 0.27 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . 0.901 ' O ' ' O ' ' B' ' 351' ' ' GLY . . . -32.08 179.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.363 . . . . 0.0 110.507 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 80.07 -45.69 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.553 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -131.74 36.74 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 1.1 m -120.01 148.49 43.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 14.8 pt20 -48.71 -43.77 37.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . 0.6 ' O ' HG22 ' B' ' 361' ' ' VAL . . . -67.85 -39.05 83.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . 0.416 ' HB2' ' HA ' ' B' ' 352' ' ' ALA . . . -53.07 -40.02 63.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 73.0 mt -70.94 -30.81 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . 0.536 ' O ' HD13 ' B' ' 364' ' ' LEU . 3.2 tmm? -69.5 -51.95 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.6 HG22 ' O ' ' B' ' 357' ' ' ALA . 5.5 m -64.88 -46.77 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.485 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.43 ' N ' HG23 ' B' ' 361' ' ' VAL . 8.0 ttp180 -59.16 -47.45 85.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.549 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.87 -22.77 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.656 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . 0.536 HD13 ' O ' ' B' ' 360' ' ' MET . 1.7 mp -76.73 -24.8 53.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.552 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.08 24.19 23.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' B' ' 366' ' ' ILE . 24.7 mm -101.77 123.75 42.88 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.66 126.19 12.18 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.706 2.271 . . . . 0.0 112.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 93.4 m -138.19 139.92 39.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 72.3 t -143.43 145.33 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.564 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 19.0 ptm -136.17 168.3 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 111.25 2.9 27.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -70.85 113.02 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.483 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -102.68 33.3 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 6.4 tp -116.51 141.17 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 3.5 mp0 -67.98 116.51 39.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.458 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . 0.527 ' HA ' HD23 ' B' ' 379' ' ' LEU . 52.1 Cg_exo -47.69 -17.39 0.69 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.822 2.348 . . . . 0.0 112.2 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 30.5 t -55.7 -46.1 77.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.474 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 65.5 t -60.21 -41.08 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.831 HD22 ' N ' ' B' ' 379' ' ' LEU . 2.3 mm? -73.19 -43.7 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.584 ' O ' ' O ' ' B' ' 185' ' ' GLY . 4.4 t60 36.94 -90.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.483 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' B' ' 379' ' ' LEU . 4.9 ptm180 -127.53 25.67 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.508 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.8 OUTLIER -78.1 170.62 16.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.5 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . 0.488 ' OG1' ' HB3' ' B' ' 396' ' ' ASP . 7.2 p -74.04 129.91 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.603 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 384' ' ' LEU . 30.7 mt -118.01 135.04 54.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.485 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 86.9 mt -124.95 94.53 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.728 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.89 146.05 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.8 t0 -133.77 79.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.637 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -47.22 -44.89 20.79 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -45.55 -47.67 14.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.604 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.4 7.35 22.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 44.12 52.21 7.08 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -120.05 152.91 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.565 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 6.0 tt -128.62 120.5 26.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.552 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 3.6 mp -117.03 160.21 21.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.617 ' O ' ' C ' ' B' ' 396' ' ' ASP . 62.9 t -121.87 108.53 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' B' ' 395' ' ' VAL . 2.1 p30 19.22 57.09 0.2 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.494 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.594 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.5 Cg_endo . . . . . 0 C--N 1.305 -1.711 0 C-N-CA 122.868 2.379 . . . . 0.0 112.207 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ptm . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 3' ' ' VAL . 4.2 m -82.42 159.59 22.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.572 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.624 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -133.54 118.39 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.511 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 4.1 pttt -125.4 172.23 9.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -160.6 135.59 7.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.431 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 127.32 33.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.7 p -128.68 125.99 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -81.52 127.28 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.3 mm -89.77 104.95 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 p -83.1 59.16 4.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 61.33 23.45 13.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' HZ2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.98 103.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -66.81 -2.86 5.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.512 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.92 -96.78 0.17 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.57 ' O ' ' N ' ' A' ' 17' ' ' ALA . 31.9 mtt -136.31 104.31 5.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.65 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 49.61 -84.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.529 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.785 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . -157.49 5.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.444 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.893 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -57.09 -35.31 34.02 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.678 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.893 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 30.4 Cg_endo -66.5 -39.65 15.94 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.701 2.267 . . . . 0.0 112.049 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.583 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -72.72 -36.49 67.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.811 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -75.81 -39.69 56.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.456 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -62.18 -37.2 84.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.866 HD22 HG11 ' A' ' 34' ' ' VAL . 2.3 mt -49.65 -44.17 47.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.664 ' CZ ' ' CE1' ' B' ' 247' ' ' HIS . 0.7 OUTLIER -58.06 -37.98 75.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.576 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.52 -33.49 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.621 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.928 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 1.4 mm? -69.95 -39.9 75.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.687 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.819 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 5.4 ttt -60.66 -27.54 67.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -86.52 -28.01 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.03 -23.05 39.48 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.928 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.7 p90 -120.46 136.2 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.757 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 65.7 t0 -77.57 111.56 13.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.503 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.776 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 153.83 147.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -98.36 129.55 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.575 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.866 HG11 HD22 ' A' ' 23' ' ' LEU . 7.6 p -106.26 134.81 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.476 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' C ' HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -135.9 135.62 39.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.9 mm? -105.94 151.69 24.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.499 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.457 ' C ' HD22 ' A' ' 38' ' ' ASN . 39.2 ttm180 -149.36 133.62 17.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.718 HD22 ' N ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -89.91 156.83 18.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.13 -29.11 29.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -65.98 -11.39 47.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.529 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.88 11.18 59.24 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.5 m -84.02 117.55 23.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 110.63 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -78.25 103.39 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.646 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.41 65.47 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.615 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.596 ' HB3' HD22 ' A' ' 47' ' ' ASN . 91.4 mt-10 -40.94 121.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.658 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . . . -62.77 -9.69 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.596 HD22 ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -99.98 27.4 5.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.64 123.07 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.659 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.619 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 98.5 t -63.56 -35.54 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 tt -61.79 -35.78 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.646 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.04 -41.78 85.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.56 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.69 -39.84 81.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.543 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.712 ' HB3' HD22 ' B' ' 286' ' ' LEU . 0.4 OUTLIER -64.04 -36.21 83.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.1 tpp -67.84 -36.78 80.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.607 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 14.8 mt -63.8 -35.17 79.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.3 -34.69 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -76.69 -6.44 52.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.84 27.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -67.83 97.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.21 5.22 40.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -105.82 164.45 11.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -98.25 142.94 29.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.605 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.32 161.52 40.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.538 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.627 ' CD ' ' O ' ' A' ' 64' ' ' GLU . 4.5 tm-20 -123.21 103.02 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.533 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.49 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.3 m -82.38 127.51 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 2.4 pt-20 -119.56 138.42 53.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.557 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.16 130.7 31.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.48 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.0 m -123.84 129.64 51.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.634 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.75 161.03 8.56 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -46.5 -45.96 18.32 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.845 2.364 . . . . 0.0 112.088 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' GLU . 60.0 mt-30 -92.77 6.33 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.634 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -36.37 -37.93 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.603 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.608 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 7.2 tp10 -63.5 -50.27 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.6 tm-20 -55.64 -52.8 62.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.593 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.401 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -54.55 -49.95 69.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.774 ' O ' HD12 ' A' ' 76' ' ' LEU . 2.3 tp -64.24 -44.28 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.91 99.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.601 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.49 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.423 ' CG2' HD21 ' A' ' 23' ' ' LEU . 58.5 t -66.94 -41.92 88.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -64.82 -41.1 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.605 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.499 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -64.22 -37.06 86.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.482 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 19' ' ' PRO . 5.2 mp -72.52 -36.94 68.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.544 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -69.95 -32.91 71.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.628 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 85' ' ' SER . 60.8 m-80 -82.51 -3.6 56.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . 0.544 ' C ' HD12 ' B' ' 171' ' ' ILE . 43.0 ttp180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . 0.544 HD12 ' C ' ' B' ' 170' ' ' ARG . 1.7 mp -110.45 134.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.5 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.532 ' CZ ' ' OE2' ' B' ' 392' ' ' GLU . 9.8 mmt180 -68.46 134.86 50.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -146.08 143.7 29.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.539 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 8.4 mp -80.48 118.55 72.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -72.51 106.41 2.08 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.786 2.324 . . . . 0.0 112.141 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -82.97 -27.41 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' B' ' 366' ' ' ILE . . . -147.01 106.29 3.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.574 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.34 134.64 20.14 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.873 2.382 . . . . 0.0 112.138 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 143.53 165.91 11.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 4.9 m -121.42 139.37 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -144.43 142.13 30.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 3.3 mp -126.55 126.76 69.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -173.77 171.14 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -82.74 162.66 21.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -83.76 130.96 10.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -127.84 132.85 49.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.741 0.305 . . . . 0.0 110.541 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.606 179.899 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . 0.4 HG23 ' O ' ' B' ' 202' ' ' THR . 1.3 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.788 0.328 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 0.539 ' H ' HD12 ' B' ' 203' ' ' LEU . 0.5 OUTLIER -59.64 125.01 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.629 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.813 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 61.3 m-20 -156.87 68.38 4.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.603 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.62 ' O ' ' N ' ' B' ' 209' ' ' ARG . 45.8 Cg_endo -72.06 -50.92 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.802 2.335 . . . . 0.0 112.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -50.65 -49.55 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.502 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 20.1 mt -80.03 -37.37 34.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.813 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 73.4 mm-40 -75.21 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.569 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . 0.62 ' N ' ' O ' ' B' ' 205' ' ' PRO . 0.0 OUTLIER -44.66 -52.46 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.475 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.08 -39.19 85.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.489 ' CZ ' HD12 ' B' ' 309' ' ' LEU . 0.0 OUTLIER -53.63 -38.04 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' B' ' 212' ' ' LEU . 90.8 mt -68.06 -53.85 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 27.3 m -54.56 -53.58 52.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.51 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.9 -36.55 88.13 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.52 -41.54 65.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 110.491 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.659 ' O ' ' N ' ' B' ' 220' ' ' ALA . 2.4 tt -55.48 -53.45 56.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 79.6 mm-40 -52.57 -34.74 51.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.501 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . 0.468 ' CD ' ' O ' ' B' ' 218' ' ' GLU . 0.5 OUTLIER -76.24 -35.34 59.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.18 -51.09 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.659 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.95 -50.68 70.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.459 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 97.1 m-20 -62.19 -36.38 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.586 ' CD ' HH11 ' B' ' 304' ' ' ARG . 3.0 tt0 -68.37 -40.01 81.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -70.25 -47.66 60.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . 0.431 ' HD2' HH21 ' B' ' 224' ' ' ARG . 34.4 ttm105 -59.1 -43.2 91.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.465 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' B' ' 221' ' ' ASN . 6.6 mpt_? -69.7 -34.69 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -49.27 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . 0.723 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 5.8 p -70.43 -49.59 47.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.549 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -44.62 -29.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.553 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . 0.403 HH21 ' HD3' ' B' ' 229' ' ' ARG . 0.9 OUTLIER -81.13 -39.37 25.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.47 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' B' ' 233' ' ' GLY . 3.0 m-85 -56.15 -40.18 73.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.589 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -45.27 -35.41 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -69.34 -23.21 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . 1.021 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -126.79 -101.66 1.19 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 1.021 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -6.21 -133.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.474 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.681 ' NE2' HG23 ' B' ' 238' ' ' THR . 0.0 OUTLIER -130.47 -166.44 1.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.48 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -82.45 -36.39 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' B' ' 241' ' ' ILE . 12.4 tm-20 -67.12 -46.96 72.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.681 HG23 ' NE2' ' B' ' 235' ' ' GLN . 6.1 p -58.25 -39.01 78.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.65 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -82.97 -34.39 26.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . 0.499 ' O ' HD12 ' B' ' 244' ' ' LEU . . . -76.58 -30.85 57.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.536 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.903 HG23 ' N ' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -68.82 -65.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.591 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.903 ' N ' HG23 ' B' ' 241' ' ' ILE . 27.9 m-85 -54.62 -67.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' B' ' 242' ' ' PHE . 21.8 t70 -32.17 -53.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.534 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 21' ' ' MET . 88.7 mt -68.05 -34.78 77.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.551 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.62 ' N ' ' O ' ' B' ' 242' ' ' PHE . 6.5 t80 -65.7 -37.08 85.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 64.3 m -49.4 -39.64 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.64 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.664 ' CE1' ' CZ ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -61.2 -33.93 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.628 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 1.074 HD23 ' N ' ' B' ' 249' ' ' LEU . 0.1 OUTLIER -57.11 -41.51 79.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.68 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 1.074 ' N ' HD23 ' B' ' 248' ' ' LEU . 16.4 tp -75.69 -39.09 58.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' B' ' 247' ' ' HIS . 95.6 p -68.93 -19.55 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.835 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 42.1 p-10 -50.21 120.0 4.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . 0.405 ' H ' HG23 ' B' ' 252' ' ' THR . 26.7 p -52.42 3.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.591 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.704 ' H ' ' C ' ' B' ' 251' ' ' ASP . 0.1 OUTLIER -77.06 -54.52 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 23.8 mt -66.57 -37.04 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.602 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.515 ' NH1' ' CD1' ' B' ' 258' ' ' LEU . 0.0 OUTLIER -59.27 -46.08 89.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . 0.619 ' HE ' ' HA ' ' B' ' 256' ' ' ARG . 3.0 mmp_? -66.58 -40.48 88.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.67 -53.53 30.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.673 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.575 HD22 HG12 ' B' ' 272' ' ' VAL . 1.1 mt -62.22 -47.55 83.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.672 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . 0.587 ' CD2' ' NH1' ' B' ' 256' ' ' ARG . 12.1 t80 -61.76 -35.13 77.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.693 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.52 98.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.697 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.52 -40.88 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 83.7 t -70.08 -35.31 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.24 -14.3 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -96.63 -17.5 20.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 123.71 16.49 3.35 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 46.7 t -92.45 160.83 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.502 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 11.6 t -100.06 148.82 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.473 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -57.34 -45.21 84.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.524 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.62 -44.83 9.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.439 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.85 -39.52 16.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.533 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.522 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -53.55 -45.86 70.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.605 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.693 ' O ' HG23 ' B' ' 276' ' ' ILE . 21.6 m -65.22 -37.12 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.582 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.431 ' N ' HG23 ' B' ' 272' ' ' VAL . 59.5 tttt -68.99 -41.8 77.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 40.5 p -73.18 -50.36 22.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 271' ' ' ALA . 49.4 t -50.21 -59.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.693 HG23 ' O ' ' B' ' 272' ' ' VAL . 26.9 pt -54.99 -38.73 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.613 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.477 ' N ' HG13 ' B' ' 276' ' ' ILE . 31.8 tt0 -68.63 -39.79 80.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.665 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -69.87 -37.48 76.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 1.5 m-85 -75.12 -35.37 61.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.519 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.16 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.461 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.467 ' N ' ' OE1' ' B' ' 281' ' ' GLU . 0.0 OUTLIER -69.96 -55.55 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.14 -41.51 99.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 279' ' ' PHE . 3.2 m-85 -64.98 -46.29 82.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.603 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.43 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -56.28 -20.58 19.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 53' ' ' LEU . 23.4 tp -51.9 154.06 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.436 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . 0.587 ' N ' ' HG ' ' B' ' 286' ' ' LEU . 66.6 m -94.83 -41.83 9.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.705 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 0.3 OUTLIER -60.22 122.71 15.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.611 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . 0.459 ' H ' HD22 ' B' ' 289' ' ' ASN . 2.9 p30 -74.07 -27.49 60.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -59.02 -31.81 69.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.658 HD12 HD22 ' A' ' 53' ' ' LEU . 1.3 mm? -117.15 -40.69 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.538 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.707 ' N ' HD23 ' B' ' 286' ' ' LEU . 9.0 tttp -50.64 -46.74 58.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -40.87 69.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.433 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' B' ' 297' ' ' ASP . 0.7 OUTLIER -52.54 -27.67 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -44.59 -44.38 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.479 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -52.21 -38.98 49.92 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.59 ' HB2' ' O ' ' B' ' 294' ' ' ARG . 0.1 OUTLIER -53.27 -42.16 66.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 0.0 110.421 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -49.24 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.414 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -43.18 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.337 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.592 ' HB3' HG21 ' B' ' 333' ' ' THR . . . -58.1 -41.89 84.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.309 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -38.2 90.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.42 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -57.35 -48.25 81.91 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . 0.758 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.8 OUTLIER -52.86 -39.94 63.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 0.0 110.501 179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.758 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 10.3 mtp180 -69.11 -39.83 78.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.41 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . 0.436 ' O ' HD23 ' B' ' 309' ' ' LEU . 1.0 OUTLIER -64.33 -44.41 91.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.351 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.77 -38.43 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.364 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . 0.486 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.0 m-85 -70.71 -42.95 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 77.9 m-70 -71.3 -29.83 65.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.467 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.489 HD12 ' CZ ' ' B' ' 211' ' ' ARG . 0.3 OUTLIER -45.27 -19.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' B' ' 307' ' ' PHE . 0.1 OUTLIER -122.24 115.52 22.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.533 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.461 ' HB2' HG21 ' B' ' 344' ' ' VAL . 7.9 ptm180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.736 0.303 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -173.22 167.79 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.541 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.51 150.36 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.706 ' HB3' HG13 ' B' ' 346' ' ' VAL . 0.8 OUTLIER -89.58 113.95 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.553 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.644 HG22 ' CG2' ' B' ' 347' ' ' VAL . 23.1 t -114.72 102.31 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.629 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -139.23 148.98 43.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -29.72 70.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.515 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.77 135.98 35.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 1.111 HD23 ' H ' ' B' ' 330' ' ' LEU . 2.0 pt? -90.13 138.71 31.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . 0.523 ' O ' ' OG1' ' B' ' 334' ' ' THR . 6.9 t -144.77 134.74 23.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.576 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.79 -38.13 66.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.592 HG21 ' HB3' ' B' ' 300' ' ' ALA . 0.9 OUTLIER -53.12 -47.83 68.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.529 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' B' ' 331' ' ' SER . 68.7 p -58.35 -48.47 80.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.433 HD11 HD22 ' B' ' 343' ' ' LEU . 0.4 OUTLIER -55.21 -41.91 72.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.615 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -75.98 8.88 2.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -106.77 -37.82 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.562 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.417 HD23 ' O ' ' B' ' 334' ' ' THR . 0.5 OUTLIER -106.71 132.35 20.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.633 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.62 124.9 10.24 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.773 2.316 . . . . 0.0 112.119 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.81 -23.25 66.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -37.18 86.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -82.13 -9.56 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' B' ' 343' ' ' LEU . 22.2 tp -77.21 116.98 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' B' ' 322' ' ' ARG . 2.5 t -116.43 18.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.519 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . 0.48 ' C ' HG23 ' B' ' 346' ' ' VAL . . . 151.36 177.73 25.45 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.706 HG13 ' HB3' ' B' ' 325' ' ' LEU . 35.7 t -155.69 144.34 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.697 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . 0.644 ' CG2' HG22 ' B' ' 326' ' ' VAL . 31.2 m -141.06 131.61 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.672 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 28.4 t -120.59 152.54 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.611 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . 0.608 ' NE ' ' O ' ' B' ' 372' ' ' ALA . 7.4 mmm-85 -92.36 -43.9 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -139.99 93.07 2.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -142.38 155.9 25.9 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -104.36 142.66 34.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.711 0.291 . . . . 0.0 110.599 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.2 10.87 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.55 9.42 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.594 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' B' ' 358' ' ' ALA . 89.7 p -74.94 169.3 18.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.704 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -62.41 -51.59 66.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.591 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . 0.948 ' O ' HG23 ' B' ' 361' ' ' VAL . . . -67.25 -36.85 82.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.553 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . 0.464 ' HB2' ' OG ' ' B' ' 355' ' ' SER . . . -59.74 -42.68 93.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.635 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 1.9 tt -68.67 -32.21 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.536 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -29.9 34.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.948 HG23 ' O ' ' B' ' 357' ' ' ALA . 91.4 t -66.65 -45.81 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.468 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.405 HH21 ' HD3' ' B' ' 362' ' ' ARG . 14.6 ttp-105 -65.55 -42.58 91.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.56 72.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.623 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 364' ' ' LEU . 13.7 tp -65.07 -34.0 77.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.32 13.0 56.69 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . 0.963 HG13 ' HD2' ' B' ' 367' ' ' PRO . 3.4 tp -90.44 143.91 30.02 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . 0.963 ' HD2' HG13 ' B' ' 366' ' ' ILE . 54.5 Cg_endo -73.51 127.41 11.74 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.872 2.382 . . . . 0.0 112.146 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 67.3 m -147.39 150.8 35.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.36 151.07 21.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.442 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 0.8 OUTLIER -133.18 164.25 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.486 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 105.43 0.38 40.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . 0.608 ' O ' ' NE ' ' B' ' 349' ' ' ARG . . . -67.52 117.95 10.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.754 0.311 . . . . 0.0 110.505 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.07 35.33 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.455 ' HB ' HD11 ' B' ' 379' ' ' LEU . 16.9 mm -104.76 129.43 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.568 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -70.76 116.0 41.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.468 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . 0.561 ' HD3' ' NH2' ' B' ' 349' ' ' ARG . 51.7 Cg_exo -47.9 -34.05 21.36 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.875 2.383 . . . . 0.0 112.102 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 43.7 t -51.28 -45.08 61.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . 0.739 ' O ' ' CD2' ' B' ' 380' ' ' HIS . 61.7 t -77.22 -29.62 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.633 ' O ' ' C ' ' B' ' 380' ' ' HIS . 86.3 mt -70.99 -16.91 62.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.868 ' ND1' ' N ' ' B' ' 381' ' ' ARG . 10.1 p80 18.69 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.868 ' N ' ' ND1' ' B' ' 380' ' ' HIS . 6.9 ptp180 -135.06 24.15 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.0 OUTLIER -60.88 159.32 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 31.7 m -77.18 131.35 38.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.555 HD21 HD22 ' B' ' 379' ' ' LEU . 95.8 mt -121.36 145.8 47.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . 0.742 HG23 ' O ' ' B' ' 385' ' ' ILE . 19.7 tt -142.08 106.89 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 2.5 m -100.61 156.45 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.404 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.648 ' O ' ' N ' ' B' ' 391' ' ' GLY . 64.6 t0 -140.64 83.65 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -44.12 -46.5 8.07 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -53.55 -44.76 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . 0.428 ' HB2' ' OD2' ' B' ' 387' ' ' ASP . 4.0 mtm180 -100.21 2.91 43.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 37.87 54.54 1.89 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . 0.532 ' OE2' ' CZ ' ' B' ' 172' ' ' ARG . 9.8 mm-40 -129.85 160.02 34.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.373 . . . . 0.0 110.599 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.94 116.14 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 1.9 mp -114.87 176.73 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.626 ' O ' ' C ' ' B' ' 396' ' ' ASP . 18.3 m -133.74 122.95 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' B' ' 395' ' ' VAL . 2.7 p30 19.31 56.05 0.18 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.528 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.618 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 42.7 Cg_endo . . . . . 0 C--N 1.305 -1.725 0 C-N-CA 122.869 2.379 . . . . 0.0 112.203 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.608 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.444 ' O ' ' HG2' ' A' ' 1' ' ' MET . 9.3 t -82.67 159.33 22.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.649 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.512 ' O ' HD12 ' A' ' 76' ' ' LEU . 62.0 t -133.29 120.79 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.459 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.46 ' HA ' HD11 ' A' ' 76' ' ' LEU . 5.0 pttp -127.85 172.96 10.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -162.39 132.73 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.8 m -78.73 128.91 34.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.714 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.5 t -129.59 124.46 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.461 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -81.06 127.26 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -90.13 105.93 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.0 p -83.41 56.99 3.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.0 m120 63.29 22.77 13.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HG3' ' H ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -163.94 103.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.53 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.665 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 1.6 tp -65.63 -4.61 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.456 ' H ' ' HG3' ' A' ' 12' ' ' LYS . . . 151.01 -71.19 0.3 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtt -169.26 103.99 0.37 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.807 0.337 . . . . 0.0 110.604 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 51.21 -104.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.21 -4.73 3.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.733 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 2.1 mpt_? -42.89 -58.97 3.36 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.573 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.733 ' HD3' ' HB2' ' A' ' 18' ' ' ARG . 50.4 Cg_exo -48.37 -49.69 13.85 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.878 2.386 . . . . 0.0 112.155 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.691 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -64.44 -45.15 88.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.504 ' SD ' ' C ' ' A' ' 21' ' ' MET . 12.5 tmm? -66.86 -40.46 87.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.609 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -63.26 -37.73 88.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD21 HG23 ' A' ' 79' ' ' VAL . 1.1 mm? -50.26 -44.94 53.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -38.3 72.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.643 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.16 -35.1 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.68 HD22 ' CE1' ' A' ' 30' ' ' PHE . 95.7 mt -68.19 -40.36 82.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.8 ttm -56.72 -33.21 66.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -81.44 -33.02 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.564 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.93 -35.33 31.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CE1' HD22 ' A' ' 26' ' ' LEU . 8.0 m-85 -103.0 156.27 17.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.822 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 61.0 t0 -99.07 95.16 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.685 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.741 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 167.65 156.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.13 129.36 47.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.404 ' CG2' ' HB1' ' A' ' 75' ' ' ALA . 84.0 t -106.61 134.88 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.601 ' O ' ' OE1' ' A' ' 66' ' ' GLU . 3.1 mp -136.44 137.71 40.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.623 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 36' ' ' LEU . 8.3 mp -108.76 150.48 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -148.01 134.43 19.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.437 HD22 ' NH2' ' A' ' 61' ' ' ARG . 1.1 t30 -90.33 155.94 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 52.1 p-10 -52.6 -27.56 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.7 OUTLIER -67.75 -10.14 50.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.32 11.98 60.41 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.5 m -85.13 117.07 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.575 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -77.74 103.5 7.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.64 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.6 65.17 6.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -40.41 121.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.81 -10.26 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -99.94 28.62 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -146.57 123.09 11.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.769 HG13 HD21 ' B' ' 248' ' ' LEU . 0.0 OUTLIER -63.51 -35.47 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.515 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.45 -36.6 74.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.64 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.1 -42.31 89.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -58.72 -39.17 80.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.908 HD12 ' O ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.11 -34.57 78.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.632 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.547 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 16.0 tpt -70.43 -35.13 73.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.478 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 93.5 mt -65.07 -34.99 79.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.676 ' OD2' HD22 ' B' ' 291' ' ' LEU . 18.5 m-20 -53.44 -34.56 58.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.547 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.458 ' C ' HH11 ' A' ' 61' ' ' ARG . 63.1 m -76.43 -6.7 52.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.17 28.97 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 5.3 pttt -68.96 97.26 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.486 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.77 4.89 39.34 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.458 HH11 ' C ' ' A' ' 57' ' ' SER . 28.4 mtm180 -104.83 166.45 10.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.362 . . . . 0.0 110.551 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' CD ' ' N ' ' A' ' 62' ' ' GLN . 14.5 mm-40 -99.97 141.26 33.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.627 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.05 162.37 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.91 101.77 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.635 HG11 HG11 ' A' ' 79' ' ' VAL . 39.6 t -80.96 130.05 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.601 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 5.3 mp0 -121.77 140.0 52.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.38 131.09 27.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.741 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 87.0 m -121.82 142.17 50.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.15 -175.9 19.59 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.822 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 51.2 Cg_endo -73.13 -37.66 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.811 2.341 . . . . 0.0 112.146 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.501 ' NE2' ' HG2' ' A' ' 70' ' ' PRO . 3.2 mp0 -97.14 2.76 51.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.561 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.752 ' OE1' ' N ' ' A' ' 72' ' ' GLU . 6.2 pm0 -34.88 -40.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.714 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 24.2 tp10 -59.67 -50.5 73.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.51 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' GLN . 31.0 tt0 -57.82 -52.32 65.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.636 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 34' ' ' VAL . . . -55.05 -49.16 72.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.584 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.217 ' O ' HG23 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -65.42 -43.59 90.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.71 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.876 ' O ' HG12 ' A' ' 80' ' ' ILE . . . -62.98 -41.73 99.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.65 99.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.881 HG12 ' O ' ' A' ' 76' ' ' LEU . 1.3 p -66.88 -43.16 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.217 HG23 ' O ' ' A' ' 76' ' ' LEU . 5.4 pt -64.21 -41.07 91.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.462 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.504 ' N ' ' CG1' ' A' ' 80' ' ' ILE . . . -64.7 -35.66 81.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.82 -37.27 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.473 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.665 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 11.0 m-30 -70.27 -32.87 70.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.74 ' OD1' ' O ' ' A' ' 80' ' ' ILE . 31.7 m120 -80.81 -7.54 59.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.531 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 13.3 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.589 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . 0.506 ' N ' HD23 ' B' ' 394' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 12.7 tt -133.83 153.2 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.546 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -96.71 120.08 36.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.626 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -120.43 159.55 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' B' ' 370' ' ' MET . 3.9 mp -79.23 117.13 65.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.05 112.65 3.47 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.819 2.346 . . . . 0.0 112.099 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . 0.565 ' O ' ' NH2' ' B' ' 362' ' ' ARG . . . -91.96 -33.61 14.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -146.33 111.53 4.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.51 160.75 0.34 Allowed 'Trans proline' 0 C--N 1.303 -1.852 0 C-N-CA 123.002 2.468 . . . . 0.0 112.089 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 119.8 164.28 12.56 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.58 160.19 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -152.3 139.0 18.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 5.7 pt -133.56 121.85 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 173.92 177.47 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -76.54 161.99 28.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.64 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -100.83 144.35 16.61 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -129.2 139.55 51.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.438 -179.88 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . 0.556 ' O ' HG23 ' B' ' 202' ' ' THR . 10.4 t . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.754 0.311 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 1.036 HD23 ' H ' ' B' ' 203' ' ' LEU . 1.0 OUTLIER -91.95 139.03 31.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.514 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.645 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -154.29 100.15 2.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 46.1 Cg_endo -72.06 -14.56 29.06 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.809 2.339 . . . . 0.0 111.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -91.12 -54.56 3.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . 0.509 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 2.5 tt -71.04 -39.9 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.645 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 3.5 mm-40 -68.42 -50.63 51.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.601 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 32.0 ttm105 -53.67 -56.39 17.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.553 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -45.01 92.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.558 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.625 ' CZ ' HD21 ' B' ' 309' ' ' LEU . 0.6 OUTLIER -56.04 -44.34 78.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.47 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.503 HD21 ' HB1' ' B' ' 268' ' ' ALA . 65.8 mt -71.19 -54.67 10.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.492 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 54.2 m -53.62 -52.44 59.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.555 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -56.36 -35.47 65.96 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.63 -39.86 66.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.528 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' B' ' 220' ' ' ALA . 48.8 mt -57.69 -54.1 50.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 1.4 mp0 -50.99 -32.2 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.517 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.34 -31.25 60.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.556 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -95.13 -48.16 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.604 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.41 -52.19 65.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 88.1 m-20 -64.99 -33.33 75.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.554 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.552 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.6 OUTLIER -65.23 -37.52 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.619 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -47.1 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.529 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 33.6 ttm105 -61.08 -40.5 93.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . 0.493 ' O ' ' HG3' ' B' ' 229' ' ' ARG . 7.0 mtp180 -69.95 -36.27 75.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.463 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.618 ' CE1' ' NH1' ' B' ' 304' ' ' ARG . 0.1 OUTLIER -57.05 -47.66 80.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.589 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 1.4 p -61.82 -48.67 79.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.497 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -42.56 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' B' ' 225' ' ' ARG . 1.5 mtm180 -76.92 -47.53 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.562 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.748 ' CD2' HG21 ' B' ' 238' ' ' THR . 0.2 OUTLIER -57.24 -51.14 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.591 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -56.12 -38.15 70.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.82 -17.28 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.495 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . 0.996 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -131.6 -92.62 0.57 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.996 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -22.6 -125.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.793 0.33 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.565 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 5.9 tt0 -133.02 165.64 24.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.643 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . 0.565 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 49.5 tttt -63.8 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.413 ' CB ' HE21 ' B' ' 235' ' ' GLN . 62.9 tt0 -45.13 -44.55 10.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.633 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.748 HG21 ' CD2' ' B' ' 230' ' ' PHE . 28.9 m -57.94 -54.04 51.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -55.62 -44.02 76.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . 0.402 ' CB ' ' NH1' ' A' ' 18' ' ' ARG . . . -55.33 -48.17 74.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.648 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' B' ' 356' ' ' GLN . 85.1 mt -66.69 -54.37 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.476 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.72 ' CZ ' ' HB2' ' B' ' 336' ' ' ALA . 7.0 m-30 -58.22 -51.11 71.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -47.43 -37.96 12.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.656 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 244' ' ' LEU . 4.7 tt -68.01 -41.78 81.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.582 ' OH ' ' CG ' ' B' ' 297' ' ' ASP . 22.3 m-30 -71.88 -41.59 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 70.5 m -53.38 -42.53 67.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -76.48 -29.31 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.769 HD21 HG13 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -72.53 -60.62 2.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.611 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.481 HD13 HD21 ' B' ' 301' ' ' LEU . 60.1 tp -54.91 -35.89 64.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 95.9 p -81.46 -13.56 58.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.942 ' O ' ' N ' ' B' ' 253' ' ' ARG . 64.4 t0 -62.48 113.7 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' B' ' 252' ' ' THR . 0.3 OUTLIER -43.79 9.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.942 ' N ' ' O ' ' B' ' 251' ' ' ASP . 2.9 ttt-85 -81.73 -57.67 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 0.5 OUTLIER -62.37 -42.02 99.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.465 ' HG2' ' CE2' ' B' ' 259' ' ' PHE . 14.7 ttm-85 -60.23 -43.05 96.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . 0.451 ' NH2' ' CB ' ' B' ' 260' ' ' ALA . 0.0 OUTLIER -61.06 -42.19 98.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.464 ' OE1' ' CE1' ' B' ' 279' ' ' PHE . 27.6 mt-10 -57.01 -50.64 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.646 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.5 HD13 HG12 ' B' ' 272' ' ' VAL . 35.9 mt -57.19 -60.63 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' B' ' 259' ' ' PHE . 3.4 m-30 -53.45 -36.69 61.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . 0.451 ' CB ' ' NH2' ' B' ' 256' ' ' ARG . . . -60.42 -39.8 88.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.623 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.28 -46.05 43.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.18 -46.49 94.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -61.7 -12.75 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -88.14 -20.94 24.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 120.64 24.14 2.66 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 30.4 t -111.44 165.72 11.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.49 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . 0.57 HG13 ' H ' ' B' ' 270' ' ' TRP . 10.2 p -97.88 147.49 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.638 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.635 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -57.85 -46.11 85.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.439 ' H ' HG22 ' B' ' 267' ' ' VAL . 0.4 OUTLIER -41.39 -52.26 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . 0.57 ' H ' HG13 ' B' ' 267' ' ' VAL . 7.1 m95 -83.96 -32.6 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -58.32 -47.88 82.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.61 HG22 ' O ' ' B' ' 268' ' ' ALA . 20.5 m -71.14 -36.56 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.572 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.424 ' N ' HG23 ' B' ' 272' ' ' VAL . 1.2 tmmm? -69.04 -44.76 72.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . 0.606 ' O ' ' N ' ' B' ' 278' ' ' LYS . 98.4 m -72.49 -49.18 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 271' ' ' ALA . 79.7 t -57.85 -56.76 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.496 HG22 ' O ' ' B' ' 272' ' ' VAL . 2.9 tp -58.11 -40.29 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' B' ' 276' ' ' ILE . 0.4 OUTLIER -76.29 -40.83 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . 0.606 ' N ' ' O ' ' B' ' 274' ' ' THR . 25.0 ttpp -59.9 -39.89 86.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' B' ' 282' ' ' GLN . 2.2 m-85 -79.86 -26.59 40.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -69.36 -13.27 62.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' B' ' 281' ' ' GLU . 0.2 OUTLIER -81.29 -46.32 14.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 279' ' ' PHE . 13.9 pt20 -59.85 -43.51 94.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.625 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.538 ' N ' ' CG ' ' B' ' 282' ' ' GLN . 47.3 m-85 -65.95 -35.06 79.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -76.87 -17.86 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -91.89 -17.17 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.997 HD21 ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -52.34 158.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . 0.558 ' N ' ' HG ' ' B' ' 286' ' ' LEU . 30.7 t -83.8 -48.83 9.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.64 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.997 ' O ' HD21 ' B' ' 286' ' ' LEU . 32.5 t70 -52.23 117.44 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.615 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . 0.513 ' HA ' ' HB3' ' B' ' 292' ' ' LYS . 9.0 t30 -73.37 -41.27 63.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.94 -38.54 56.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.676 HD22 ' OD2' ' A' ' 56' ' ' ASP . 1.7 mp -87.68 -40.5 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' B' ' 293' ' ' GLU . 0.0 OUTLIER -36.46 -40.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.485 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . 0.53 ' N ' ' HG3' ' B' ' 292' ' ' LYS . 34.4 tp10 -52.5 -39.5 61.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.414 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' B' ' 291' ' ' LEU . 24.9 mtm105 -45.58 -41.93 10.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.319 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -51.13 -47.65 61.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.232 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -59.38 -39.79 95.23 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.582 ' CG ' ' OH ' ' B' ' 245' ' ' TYR . 28.1 m-20 -63.64 -43.48 96.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.288 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.74 -49.22 73.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.236 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -56.78 -41.59 77.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.154 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.816 ' CB ' HG21 ' B' ' 333' ' ' THR . . . -70.1 -35.5 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.133 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.481 HD21 HD13 ' B' ' 249' ' ' LEU . 0.5 OUTLIER -61.9 -43.28 99.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.219 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -56.16 -44.27 88.78 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . 0.783 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -62.77 -40.32 96.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.216 179.707 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.783 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 6.5 ttt180 -62.38 -41.9 99.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.214 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.91 -33.58 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.262 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . 0.662 HD23 ' O ' ' B' ' 306' ' ' LEU . 2.3 tt -62.8 -39.62 94.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.52 -42.18 92.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.357 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . 0.476 ' ND1' ' N ' ' B' ' 308' ' ' HIS . 1.7 m80 -75.08 -29.19 60.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.391 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.625 HD21 ' CZ ' ' B' ' 211' ' ' ARG . 0.3 OUTLIER -60.63 -17.36 46.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.52 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . 0.633 ' OD2' ' O ' ' B' ' 306' ' ' LEU . 0.0 OUTLIER -115.01 113.57 24.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.584 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.592 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.443 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.762 0.315 . . . . 0.0 110.614 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 176.58 157.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.04 144.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.517 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.705 HD13 ' N ' ' B' ' 326' ' ' VAL . 0.8 OUTLIER -95.86 119.92 35.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.705 ' N ' HD13 ' B' ' 325' ' ' LEU . 47.2 t -117.11 106.44 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.604 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.86 155.17 50.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 4.8 p-10 -65.8 -26.31 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -151.16 125.0 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.534 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.502 HD22 HG11 ' B' ' 346' ' ' VAL . 15.6 tp -75.19 123.73 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.501 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 69.5 p -125.91 136.81 53.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -52.18 -40.87 62.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.816 HG21 ' CB ' ' B' ' 300' ' ' ALA . 11.9 t -52.42 -43.17 64.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . 0.548 ' N ' HG23 ' B' ' 333' ' ' THR . 91.5 m -58.95 -50.45 74.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.598 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' B' ' 337' ' ' GLU . 5.7 mp -55.26 -41.96 72.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . 0.72 ' HB2' ' CZ ' ' B' ' 242' ' ' PHE . . . -65.54 7.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.534 ' H ' ' C ' ' B' ' 335' ' ' LEU . 25.8 tt0 -107.87 -39.49 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.479 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -116.4 118.39 37.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -47.28 158.87 0.49 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.83 2.353 . . . . 0.0 112.061 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -69.48 -12.04 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.485 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -70.67 -40.74 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -21.19 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.507 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' B' ' 343' ' ' LEU . 34.0 tp -88.22 98.33 11.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.544 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.43 HG22 ' O ' ' B' ' 323' ' ' PHE . 19.9 m -115.08 10.07 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -177.07 155.15 17.45 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.502 HG11 HD22 ' B' ' 330' ' ' LEU . 16.1 t -138.53 142.75 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.866 0.365 . . . . 0.0 110.465 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 91.5 t -143.86 117.26 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' B' ' 370' ' ' MET . 66.2 t -110.61 149.28 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . 0.447 HH11 ' C ' ' B' ' 374' ' ' ILE . 6.7 mtp-105 -88.69 -39.18 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.525 ' O ' ' O ' ' B' ' 351' ' ' GLY . 5.3 p-10 -139.19 -102.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.525 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 51.82 162.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -86.67 160.49 18.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -86.86 -5.91 58.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.64 -0.39 37.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.1 150.76 2.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.576 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . 0.515 ' HB2' HD11 ' B' ' 241' ' ' ILE . 10.3 pt20 -65.16 -48.71 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.58 92.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.06 -40.99 77.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.2 mt -71.27 -32.56 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.85 -51.91 62.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.609 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.464 HG23 ' N ' ' B' ' 362' ' ' ARG . 16.1 m -60.58 -44.34 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.459 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.565 ' NH2' ' O ' ' B' ' 176' ' ' ALA . 11.1 ttm-85 -56.89 -53.28 59.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -66.34 -27.5 67.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . 0.731 HD23 HD12 ' B' ' 366' ' ' ILE . 40.6 tp -72.4 -28.93 63.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.474 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.01 33.84 6.77 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . 0.731 HD12 HD23 ' B' ' 364' ' ' LEU . 4.0 mt -112.82 125.53 29.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.589 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.21 132.43 18.71 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.786 2.324 . . . . 0.0 112.195 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 35.6 m -142.75 134.73 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 1.5 t -130.06 146.97 33.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.551 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' B' ' 174' ' ' LEU . 0.0 OUTLIER -133.6 157.54 45.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.597 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 102.7 -8.49 54.61 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.2 113.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.522 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -104.37 44.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.447 ' C ' HH11 ' B' ' 349' ' ' ARG . 4.9 tp -124.44 140.72 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.426 ' OE1' ' NH1' ' B' ' 349' ' ' ARG . 4.8 mm100 -73.7 112.79 17.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . 0.635 ' HG3' HG12 ' B' ' 326' ' ' VAL . 50.3 Cg_exo -49.0 -25.34 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.775 2.316 . . . . 0.0 112.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 58.5 m -49.85 -32.37 14.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . 0.45 ' O ' ' CE1' ' B' ' 380' ' ' HIS . 3.1 t -85.37 -28.31 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.708 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.713 ' O ' ' O ' ' B' ' 380' ' ' HIS . 4.0 mm? -65.82 -22.88 66.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.713 ' O ' ' O ' ' B' ' 379' ' ' LEU . 3.0 p80 -6.43 -114.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.651 ' N ' ' ND1' ' B' ' 380' ' ' HIS . 7.0 mtt180 -88.14 17.09 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . 0.437 ' HB2' ' CE1' ' B' ' 380' ' ' HIS . 16.3 tpt180 -74.87 144.99 43.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 16.5 m -70.42 123.68 22.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 49.1 tp -116.63 142.53 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.441 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . 0.654 HG13 ' O ' ' B' ' 385' ' ' ILE . 0.1 OUTLIER -139.58 101.97 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . 0.685 HG22 HD12 ' B' ' 393' ' ' LEU . 29.1 t -92.94 157.23 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' B' ' 391' ' ' GLY . 57.9 t0 -141.61 78.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -40.9 -53.64 3.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -41.84 -57.03 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.48 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' B' ' 391' ' ' GLY . 4.6 tpp180 -96.18 7.14 47.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.528 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 37.45 54.85 1.68 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.3 156.06 33.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.594 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.685 HD12 HG22 ' B' ' 386' ' ' VAL . 3.1 tp -129.94 111.19 12.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.467 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.506 HD23 ' N ' ' B' ' 170' ' ' ARG . 52.3 mt -108.01 173.92 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.54 ' O ' ' C ' ' B' ' 396' ' ' ASP . 3.2 p -142.21 120.58 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.54 ' C ' ' O ' ' B' ' 395' ' ' VAL . 1.1 m-20 28.01 58.12 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 C--N 1.304 -1.768 0 C-N-CA 122.812 2.341 . . . . 0.0 112.118 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.559 HG22 ' OG1' ' A' ' 68' ' ' THR . 68.5 p -81.92 159.11 23.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.535 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.706 HG21 ' OE2' ' A' ' 72' ' ' GLU . 73.4 t -133.48 116.8 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.504 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -124.02 173.22 8.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -162.84 133.53 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.486 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 t -79.04 130.51 35.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 80' ' ' ILE . 58.6 t -131.25 123.79 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.599 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.17 126.98 31.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.0 mm -90.23 104.54 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.4 57.09 3.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.423 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 62.69 22.72 13.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.491 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.675 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -162.35 101.54 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.524 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.762 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.36 -6.57 10.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.51 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.75 -45.89 0.83 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.686 ' O ' ' C ' ' A' ' 16' ' ' HIS . 5.8 tpt -179.47 151.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.722 0.296 . . . . 0.0 110.655 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.686 ' C ' ' O ' ' A' ' 15' ' ' MET . 3.2 t-160 -4.71 -66.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -168.12 2.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.489 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -48.39 -55.49 18.74 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 18' ' ' ARG . 52.6 Cg_exo -47.58 -48.17 16.27 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 122.881 2.388 . . . . 0.0 112.219 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -65.65 -43.21 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.489 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -41.63 90.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -63.17 -37.87 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.938 HD11 HG23 ' A' ' 79' ' ' VAL . 2.1 mp -49.23 -45.34 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.575 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.615 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 12.3 m-85 -57.83 -39.53 77.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.562 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.14 -34.91 64.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.575 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.652 ' HG ' ' HD1' ' A' ' 30' ' ' PHE . 5.3 tt -69.19 -39.02 78.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.4 ttp -58.58 -30.09 66.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.5 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.615 ' OE1' ' O ' ' A' ' 24' ' ' PHE . 3.3 mt-30 -83.64 -31.94 25.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.53 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.25 -28.13 41.75 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.77 ' CD1' ' OE1' ' A' ' 74' ' ' GLU . 7.6 m-85 -110.01 148.12 32.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.66 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 60.0 t0 -91.86 99.01 11.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.573 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 162.99 152.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -98.7 130.5 45.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.045 ' C ' HD22 ' A' ' 35' ' ' LEU . 7.1 p -107.4 131.94 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.045 HD22 ' C ' ' A' ' 34' ' ' VAL . 2.7 mm? -133.12 137.02 46.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.5 mp -107.63 150.44 26.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.58 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.44 HH21 ' HD2' ' A' ' 37' ' ' ARG . 17.1 mtm105 -146.63 136.37 23.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.554 ' OD1' ' SD ' ' A' ' 54' ' ' MET . 1.8 m120 -93.15 155.07 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.12 -28.16 16.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.494 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.447 ' N ' ' OE2' ' A' ' 40' ' ' GLU . 1.4 mm-40 -68.26 -10.53 55.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.1 11.97 59.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -84.8 116.56 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 43' ' ' GLU . 2.9 pt-20 -77.48 103.76 7.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.651 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.76 65.14 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -40.43 121.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.13 -9.65 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -100.45 29.0 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.03 123.23 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.672 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 14.5 p -63.2 -35.52 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.681 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.401 HG21 ' OE1' ' B' ' 282' ' ' GLN . 3.0 pt -61.5 -37.37 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.58 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.69 -42.28 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.545 HD21 ' HB1' ' A' ' 20' ' ' ALA . 6.4 mp -58.47 -38.73 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.577 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -65.47 -35.75 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.554 ' SD ' ' OD1' ' A' ' 38' ' ' ASN . 1.9 tmt? -68.73 -36.09 77.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.587 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD11 HD23 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -63.76 -35.27 80.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.623 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.99 -34.74 57.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.624 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.4 p -76.69 -6.48 52.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.498 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.19 29.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.567 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -69.2 96.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.539 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.94 4.99 38.83 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -105.87 163.94 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -97.32 143.81 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 38' ' ' ASN . 41.0 pt -130.95 162.3 39.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -124.24 100.71 6.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.671 HG11 HG11 ' A' ' 79' ' ' VAL . 44.0 t -80.5 128.45 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -120.73 138.63 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.69 130.3 29.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.558 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.559 ' OG1' HG22 ' A' ' 2' ' ' THR . 41.3 m -123.44 128.77 50.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.531 ' O ' ' CG ' ' A' ' 72' ' ' GLU . . . 142.32 160.7 8.45 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.06 -44.47 23.22 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.87 2.38 . . . . 0.0 112.077 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 1.098 ' HB3' ' HG2' ' A' ' 74' ' ' GLU . 1.7 mm100 -93.27 5.94 49.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.706 ' OE2' HG21 ' A' ' 3' ' ' VAL . 1.3 pp20? -37.46 -37.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 8.6 tp10 -63.25 -53.34 54.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.479 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 1.098 ' HG2' ' HB3' ' A' ' 71' ' ' GLN . 1.2 pp20? -54.98 -50.17 69.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.999 ' N ' ' OE1' ' A' ' 74' ' ' GLU . . . -55.86 -50.64 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.635 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.762 ' O ' HG12 ' A' ' 79' ' ' VAL . 2.9 tt -64.34 -43.81 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.688 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.45 99.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.635 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.25 96.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.605 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.938 HG23 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -66.72 -42.02 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.542 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 1.0 OUTLIER -64.68 -41.61 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.51 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.45 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.84 -37.08 86.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.505 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.45 -37.36 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 4.8 m-85 -69.75 -32.23 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.535 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 85' ' ' SER . 14.2 m-20 -82.37 -4.3 57.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.5 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.521 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 91.0 mt -125.65 134.28 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.557 ' CD ' ' H ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -88.11 107.63 18.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.788 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -107.48 164.79 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.764 HD12 ' N ' ' B' ' 174' ' ' LEU . 5.7 mp -80.01 119.1 75.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.59 115.65 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.77 2.314 . . . . 0.0 112.145 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . 1.022 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -92.75 -36.66 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.461 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.3 107.6 6.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.6 145.56 9.0 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.9 2.4 . . . . 0.0 112.124 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 136.17 168.59 11.53 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 12.5 p -124.79 139.56 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.498 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -142.21 144.5 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 23.1 pt -130.92 129.7 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 173.11 175.58 0.11 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.605 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.02 167.66 21.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.576 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -105.92 128.82 9.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . 0.42 ' CB ' ' CD1' ' B' ' 323' ' ' PHE . 8.8 t90 -115.92 118.31 32.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.483 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.861 0.362 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 8.3 mp -54.1 126.06 21.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.623 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 14.2 p-10 -155.92 49.54 0.42 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.445 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.623 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 53.9 Cg_exo -47.15 -54.42 5.06 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.792 2.328 . . . . 0.0 112.157 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -48.87 -51.16 31.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 10.9 tp -75.97 -34.19 59.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.502 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.581 ' HG2' HG21 ' B' ' 262' ' ' VAL . 1.8 tp10 -71.77 -65.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.389 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . 0.604 ' HG2' ' N ' ' B' ' 210' ' ' GLU . 0.2 OUTLIER -45.1 -46.87 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . 0.604 ' N ' ' HG2' ' B' ' 209' ' ' ARG . 15.5 tm-20 -64.59 -38.64 91.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.573 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.482 HH11 HD12 ' B' ' 309' ' ' LEU . 9.9 mtp180 -58.98 -43.69 91.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.548 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.402 ' HG ' HD13 ' B' ' 258' ' ' LEU . 0.1 OUTLIER -65.26 -53.04 50.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.568 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . 0.597 ' O ' ' OE1' ' B' ' 217' ' ' GLU . 36.6 p -50.91 -48.62 60.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.477 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -66.94 -34.34 86.77 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . 0.82 ' HB1' HD22 ' B' ' 309' ' ' LEU . . . -72.6 -45.84 57.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.748 0.308 . . . . 0.0 110.577 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.613 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.8 OUTLIER -59.57 -50.3 74.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.597 ' OE1' ' O ' ' B' ' 213' ' ' THR . 1.2 mp0 -52.94 -31.85 42.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.492 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' B' ' 222' ' ' GLU . 2.4 tp10 -77.13 -33.55 56.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.458 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.29 -49.09 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -58.58 -49.07 78.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 74.5 m-20 -67.43 -31.63 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.718 ' HG3' ' CE1' ' B' ' 226' ' ' TYR . 40.9 tt0 -67.79 -39.3 84.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.17 -39.27 75.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.45 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . 0.467 HH21 ' HD2' ' B' ' 224' ' ' ARG . 43.6 ttm105 -69.79 -38.15 76.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' B' ' 221' ' ' ASN . 22.8 mtp180 -81.93 -33.76 30.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.464 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.718 ' CE1' ' HG3' ' B' ' 222' ' ' GLU . 3.3 m-85 -68.45 -49.81 57.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . 0.635 ' CB ' ' CG ' ' B' ' 242' ' ' PHE . 51.4 p -62.05 -31.47 71.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.46 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -46.64 73.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.46 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 226' ' ' TYR . 5.0 ptm180 -77.87 -43.0 31.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.488 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' B' ' 238' ' ' THR . 0.6 OUTLIER -51.62 -60.25 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . 0.759 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -46.89 -41.8 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.45 -25.26 65.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.476 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -96.18 -46.53 2.59 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -91.3 -156.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.596 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.428 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 13.7 pt20 -98.46 -176.85 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.637 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 240' ' ' ALA . 14.3 mttm -61.05 -33.72 73.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.424 ' OE1' ' NE2' ' B' ' 235' ' ' GLN . 88.5 tt0 -42.79 -43.28 3.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.663 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.561 ' O ' ' CG1' ' B' ' 241' ' ' ILE . 4.6 m -69.67 -44.99 69.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.694 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . 0.759 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -71.88 -14.78 62.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 236' ' ' LYS . . . -82.94 -35.25 26.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.839 HG13 ' H ' ' B' ' 242' ' ' PHE . 8.6 pt -72.28 -62.24 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.904 ' CG ' ' N ' ' B' ' 243' ' ' ASP . 0.1 OUTLIER -48.59 -62.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.904 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 12.2 t0 -38.36 -43.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 0.475 HD22 HH22 ' B' ' 294' ' ' ARG . 0.5 OUTLIER -68.15 -61.21 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.502 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.586 ' CZ ' ' HB3' ' B' ' 297' ' ' ASP . 8.3 m-85 -59.85 -45.13 93.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 36.2 t -41.33 -44.09 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.515 ' NE2' ' CZ ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -70.26 -29.82 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.575 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.797 HD13 ' C ' ' B' ' 248' ' ' LEU . 2.7 tm? -62.14 -59.59 4.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.613 ' N ' HD13 ' B' ' 248' ' ' LEU . 67.6 mt -54.39 -44.0 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 77.3 p -69.9 -24.2 63.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.718 ' C ' ' H ' ' B' ' 253' ' ' ARG . 31.7 t0 -53.44 124.64 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.644 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 2.8 m -55.86 8.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.718 ' H ' ' C ' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -82.28 -37.9 25.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.533 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 3.8 mm? -78.39 -37.22 44.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.663 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -69.7 -44.28 70.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.665 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' B' ' 260' ' ' ALA . 34.6 ptt180 -66.41 -40.54 89.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' B' ' 256' ' ' ARG . 19.5 mt-10 -63.34 -48.29 78.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' B' ' 254' ' ' LEU . 12.6 mt -61.53 -61.5 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' B' ' 256' ' ' ARG . . . -62.07 -41.65 98.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.25 -42.09 99.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . 0.581 HG21 ' HG2' ' B' ' 208' ' ' GLU . 92.8 t -63.21 -33.18 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -20.41 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.68 -21.15 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.38 20.07 2.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . 0.457 ' O ' HG22 ' B' ' 262' ' ' VAL . 73.6 m -89.92 151.67 21.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.693 0.282 . . . . 0.0 110.683 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . 0.559 HG12 ' H ' ' B' ' 269' ' ' GLU . 54.3 t -99.95 144.8 11.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.601 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -44.22 -29.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.556 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.559 ' H ' HG12 ' B' ' 267' ' ' VAL . 1.8 mp0 -59.12 -53.99 52.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' B' ' 274' ' ' THR . 0.4 OUTLIER -81.42 -30.23 33.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.582 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.547 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -58.09 -54.56 45.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.654 ' O ' HG23 ' B' ' 276' ' ' ILE . 16.4 m -64.9 -37.11 79.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.44 ' N ' HG23 ' B' ' 272' ' ' VAL . 69.6 tttt -73.92 -47.46 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.485 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . 0.401 ' N ' ' O ' ' B' ' 270' ' ' TRP . 97.8 m -61.63 -55.18 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.529 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 271' ' ' ALA . 77.8 t -48.37 -63.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.654 HG23 ' O ' ' B' ' 272' ' ' VAL . 31.2 pt -53.88 -41.33 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.562 ' N ' HG13 ' B' ' 276' ' ' ILE . 50.3 tp10 -66.12 -44.8 83.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -61.84 -37.24 83.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . 0.448 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 1.2 m-85 -72.69 -31.01 64.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.67 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.1 79.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.669 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -75.75 -46.06 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.613 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . 0.401 ' OE1' HG21 ' A' ' 50' ' ' ILE . 38.1 tt0 -60.51 -40.27 90.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.742 ' O ' HD11 ' B' ' 291' ' ' LEU . 3.8 m-85 -59.47 -46.76 87.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.639 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . 0.656 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -59.39 -45.46 91.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -29.99 -41.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.656 ' O ' ' O ' ' B' ' 284' ' ' ALA . 6.1 mp -74.95 166.81 23.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 66.6 m -115.41 -14.4 11.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -42.91 135.19 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.659 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . 0.571 ' CG ' ' H ' ' B' ' 290' ' ' TYR . 23.8 p-10 -57.66 -60.88 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.468 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . 0.571 ' H ' ' CG ' ' B' ' 289' ' ' ASN . 55.4 t80 -53.67 -25.39 17.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.947 HD13 ' N ' ' B' ' 292' ' ' LYS . 1.2 tm? -70.29 -63.5 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.477 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.947 ' N ' HD13 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -37.9 -39.78 0.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.13 -43.34 53.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.283 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.531 ' NH2' ' OH ' ' B' ' 290' ' ' TYR . 12.6 tpt180 -49.76 -44.5 48.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . 0.599 ' HB2' ' HB3' ' B' ' 283' ' ' PHE . . . -57.97 -48.63 79.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.178 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -58.69 -39.65 93.79 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.586 ' HB3' ' CZ ' ' B' ' 245' ' ' TYR . 1.4 m-20 -65.01 -41.85 94.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.391 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . 0.503 HD12 ' CE2' ' B' ' 283' ' ' PHE . 0.5 OUTLIER -56.32 -46.05 80.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.361 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . 0.547 ' NH1' ' N ' ' B' ' 303' ' ' GLN . 2.1 tpm_? -56.7 -45.76 81.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.159 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.565 ' HB1' ' OG1' ' B' ' 333' ' ' THR . . . -62.95 -39.79 95.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.311 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.553 HD12 ' O ' ' B' ' 297' ' ' ASP . 0.5 OUTLIER -66.52 -40.53 89.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.205 179.729 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.21 -44.14 97.73 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . 0.547 ' N ' ' NH1' ' B' ' 299' ' ' ARG . 1.3 tm0? -55.0 -38.81 68.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.268 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.514 ' NE ' ' OE1' ' B' ' 222' ' ' GLU . 0.0 OUTLIER -66.03 -37.66 86.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.348 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . 0.513 ' O ' HD23 ' B' ' 309' ' ' LEU . 1.2 tp -65.26 -40.0 93.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.311 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.61 -37.55 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.475 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -45.02 86.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.398 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -73.96 -23.88 59.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.482 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.82 HD22 ' HB1' ' B' ' 215' ' ' ALA . 0.6 OUTLIER -65.04 -21.56 66.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.449 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -133.89 64.5 1.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.494 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 7.6 ptm180 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.687 0.28 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.494 ' HB3' ' O ' ' B' ' 322' ' ' ARG . 50.5 p90 171.83 170.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.561 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' B' ' 384' ' ' LEU . 88.6 mt -97.81 147.38 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.731 HD13 ' C ' ' B' ' 325' ' ' LEU . 2.6 tm? -85.9 118.34 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.689 ' N ' HD13 ' B' ' 325' ' ' LEU . 25.7 t -117.64 103.47 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -139.63 148.37 42.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.468 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 43.6 p30 -63.64 -31.67 72.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.484 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.582 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 15.8 tm-20 -143.61 128.56 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.601 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.466 ' O ' ' OE2' ' B' ' 329' ' ' GLU . 58.2 mt -83.98 118.95 24.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.612 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 37.2 t -115.16 134.95 54.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.16 -38.12 65.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.62 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.565 ' OG1' ' HB1' ' B' ' 300' ' ' ALA . 10.9 p -61.98 -38.71 89.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.8 m -61.07 -52.82 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.55 ' C ' ' H ' ' B' ' 337' ' ' GLU . 1.3 mp -55.51 -34.08 64.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.537 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.5 16.64 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.626 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.55 ' H ' ' C ' ' B' ' 335' ' ' LEU . 94.8 mt-10 -122.36 -46.48 2.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.882 HD13 ' NH1' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -95.18 114.4 63.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.458 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.67 145.88 8.81 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.822 2.348 . . . . 0.0 112.117 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -71.05 -14.15 62.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.667 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -67.17 -45.32 77.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.882 ' NH1' HD13 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -77.3 -18.56 57.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.573 HD23 ' H ' ' B' ' 345' ' ' GLY . 3.0 tt -73.77 114.15 11.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.524 HG12 ' O ' ' B' ' 344' ' ' VAL . 13.9 t -121.76 8.54 5.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . 0.573 ' H ' HD23 ' B' ' 343' ' ' LEU . . . 177.11 171.07 40.29 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 43.5 t -150.1 142.56 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 56.7 t -145.41 123.96 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.499 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.464 HG23 ' N ' ' B' ' 349' ' ' ARG . 0.4 OUTLIER -117.05 156.02 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.634 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . 0.464 ' N ' HG23 ' B' ' 348' ' ' VAL . 8.5 ttt85 -90.81 -53.08 4.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.791 ' O ' ' N ' ' B' ' 352' ' ' ALA . 9.9 p30 -132.18 -15.81 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . -52.82 63.01 0.0 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . 0.791 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -42.36 174.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . 0.725 ' HB1' ' NH1' ' B' ' 362' ' ' ARG . . . -59.97 -34.01 72.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.505 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . 0.424 HD22 ' HB3' ' B' ' 352' ' ' ALA . 0.7 OUTLIER -38.1 -32.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . 0.419 ' N ' ' O ' ' B' ' 353' ' ' ALA . 72.9 m -57.63 143.9 39.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.593 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -48.07 78.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.477 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . 0.844 ' O ' HG23 ' B' ' 361' ' ' VAL . . . -57.57 -44.56 85.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.531 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.15 76.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.07 -33.36 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.538 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 51.0 mtm -82.67 -24.4 33.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.436 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.844 HG23 ' O ' ' B' ' 357' ' ' ALA . 84.9 t -67.76 -49.89 65.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.725 ' NH1' ' HB1' ' B' ' 353' ' ' ALA . 0.2 OUTLIER -67.31 -34.46 77.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.67 -24.23 62.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' B' ' 364' ' ' LEU . 0.6 OUTLIER -76.17 -21.9 55.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.25 33.59 6.81 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . 0.616 ' CG2' ' HD2' ' B' ' 367' ' ' PRO . 38.7 mt -114.88 141.51 26.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.597 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . 0.616 ' HD2' ' CG2' ' B' ' 366' ' ' ILE . 51.1 Cg_endo -72.99 129.38 14.18 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.794 2.329 . . . . 0.0 112.05 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . 0.479 ' OG1' HG11 ' B' ' 361' ' ' VAL . 68.3 m -138.71 144.75 39.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.586 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.27 137.23 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 1.022 ' SD ' ' HB2' ' B' ' 176' ' ' ALA . 0.0 OUTLIER -121.3 159.25 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 100.97 -7.02 57.01 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.95 109.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -98.23 32.85 2.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.76 123.89 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.593 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 2.1 mp0 -57.23 140.26 78.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.4 -22.38 21.67 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.826 2.351 . . . . 0.0 112.18 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 96.0 p -60.39 -32.35 71.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 58.4 t -83.21 -32.69 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.587 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.687 ' O ' ' N ' ' B' ' 381' ' ' ARG . 86.5 mt -66.6 -28.68 68.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.596 ' C ' ' O ' ' B' ' 379' ' ' LEU . 22.4 t-80 22.44 -83.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.611 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.687 ' N ' ' O ' ' B' ' 379' ' ' LEU . 10.6 ptp85 -145.5 25.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -67.98 174.44 3.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 30.4 m -77.34 124.36 27.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.675 HD12 HG13 ' B' ' 386' ' ' VAL . 0.1 OUTLIER -115.0 130.49 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . 0.512 ' N ' HD13 ' B' ' 384' ' ' LEU . 97.1 mt -130.7 97.34 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.526 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . 0.675 HG13 HD12 ' B' ' 384' ' ' LEU . 31.5 m -103.63 160.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.544 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.663 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.8 t0 -141.3 83.35 1.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.574 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -43.5 -46.13 6.98 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' B' ' 389' ' ' TYR . 0.0 OUTLIER -50.95 -52.97 37.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.506 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . 0.406 ' N ' ' CG ' ' B' ' 389' ' ' TYR . 27.5 ttt85 -94.82 -0.33 54.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.556 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 45.52 49.56 11.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -121.06 157.8 29.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.543 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 5.5 tt -129.84 118.35 21.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 85.6 mt -107.34 159.24 16.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.588 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.592 ' O ' ' C ' ' B' ' 396' ' ' ASP . 76.4 t -130.6 114.66 28.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.1 OUTLIER 22.77 60.36 0.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo . . . . . 0 C--N 1.304 -1.81 0 C-N-CA 122.791 2.327 . . . . 0.0 112.098 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 2' ' ' THR . 2.1 t -84.01 158.79 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.689 HG21 ' OE2' ' A' ' 72' ' ' GLU . 85.9 t -132.69 119.48 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.631 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -127.39 172.05 10.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -161.44 134.74 6.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.539 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.588 ' OG1' ' NE2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -79.6 129.34 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.665 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.1 t -129.9 123.62 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 5.6 mp0 -80.47 126.38 31.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.1 mt -89.85 104.84 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.0 p -82.89 58.77 4.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.421 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m120 61.53 22.44 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.424 ' HD2' ' H ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -162.55 101.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.67 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.74 3.43 1.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.489 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.624 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 119.46 62.97 0.27 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.578 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.8 OUTLIER 81.08 -162.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 110.436 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 23.2 t-80 -53.25 -102.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.556 ' N ' ' CG ' ' A' ' 16' ' ' HIS . . . -132.02 -1.38 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.51 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -40.21 -53.56 5.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.674 ' O ' HD23 ' A' ' 23' ' ' LEU . 51.2 Cg_exo -48.22 -51.71 9.6 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.805 2.336 . . . . 0.0 112.115 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -62.97 -44.12 96.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.662 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.475 ' SD ' HD12 ' B' ' 244' ' ' LEU . 0.2 OUTLIER -67.66 -41.4 83.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.498 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -62.98 -37.08 85.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.748 HD21 HG23 ' A' ' 79' ' ' VAL . 1.4 mm? -50.19 -46.57 54.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.526 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.65 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -55.35 -39.23 69.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -74.31 -33.45 63.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.625 HD22 ' CE1' ' A' ' 30' ' ' PHE . 84.9 mt -67.74 -44.19 78.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.498 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.9 mtp -54.73 -33.9 61.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.556 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.65 ' OE1' ' O ' ' A' ' 24' ' ' PHE . 5.7 mp0 -78.92 -33.74 45.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.95 -35.13 31.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.625 ' CE1' HD22 ' A' ' 26' ' ' LEU . 13.9 m-30 -102.09 159.06 15.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 0.0 110.515 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.851 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -102.12 92.09 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.749 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 170.76 158.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.538 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -102.34 128.01 49.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.676 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.04 134.92 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.538 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.862 HD21 ' NE ' ' A' ' 37' ' ' ARG . 3.6 tp -136.5 135.62 38.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.631 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 4.1 mp -106.22 150.82 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.862 ' NE ' HD21 ' A' ' 35' ' ' LEU . 23.2 mtt180 -147.39 135.19 21.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.537 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.426 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 11.4 m120 -91.85 155.94 17.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -52.94 -28.19 22.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 40' ' ' GLU . 6.7 mp0 -67.76 -11.04 57.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.518 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.49 11.82 59.05 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 38' ' ' ASN . 30.5 p -84.53 116.82 23.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.717 0.294 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.614 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -77.91 103.15 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.547 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.645 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.29 65.52 7.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.639 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -40.67 120.96 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.581 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.631 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -62.69 -9.82 10.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -100.18 28.23 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.92 123.38 11.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.57 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' B' ' 248' ' ' LEU . 2.2 p -63.45 -35.87 74.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.403 HG22 ' H ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -61.7 -37.02 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.603 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.645 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.92 -41.62 91.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.58 HD22 ' HB1' ' A' ' 20' ' ' ALA . 88.2 mt -59.33 -38.16 79.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.619 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.911 HD23 ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -65.81 -36.17 82.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.911 ' N ' HD23 ' A' ' 53' ' ' LEU . 3.2 tpp -67.93 -35.76 78.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.9 tt -64.09 -35.38 80.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -53.03 -34.95 58.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.446 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.5 p -76.43 -6.8 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.96 29.4 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 5.8 ptpt -69.65 97.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.599 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.85 5.17 38.9 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.422 HH21 ' HD2' ' A' ' 61' ' ' ARG . 6.9 mmm180 -106.4 165.0 11.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.588 ' NE2' ' OG1' ' A' ' 6' ' ' THR . 55.0 tt0 -97.33 143.81 27.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.693 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -130.56 161.85 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.472 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.693 ' N ' HG13 ' A' ' 63' ' ' ILE . 5.6 mm-40 -124.32 101.07 6.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.35 129.26 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -121.48 139.47 53.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.9 130.57 27.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.601 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.749 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 5.9 p -121.62 141.29 51.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.15 -177.15 19.16 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.851 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.9 Cg_endo -72.16 -37.14 4.92 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.863 2.375 . . . . 0.0 112.18 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' GLU . 50.9 mm-40 -98.26 3.6 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.596 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.689 ' OE2' HG21 ' A' ' 3' ' ' VAL . 1.3 pp20? -36.07 -41.79 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.562 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 17.1 pt-20 -58.62 -49.3 77.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 11.9 tp10 -58.91 -51.9 68.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.53 -49.43 72.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.851 ' O ' HG12 ' A' ' 79' ' ' VAL . 1.7 tt -64.68 -44.05 91.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.505 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.14 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.7 98.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 76' ' ' LEU . 1.0 OUTLIER -66.63 -42.32 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.539 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -64.65 -41.57 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.453 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.506 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.31 -36.77 84.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.513 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.0 -37.58 66.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.443 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -69.67 -32.02 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.656 ' O ' ' HB2' ' A' ' 85' ' ' SER . 80.4 m-20 -82.29 -5.69 58.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.656 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 71.6 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.59 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . 0.405 HH21 ' HD3' ' B' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . 0.452 HD12 HD11 ' B' ' 374' ' ' ILE . 70.6 mt -89.6 118.23 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -57.51 128.7 38.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.533 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -142.38 157.6 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.589 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.57 112.8 34.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.76 116.75 4.84 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.912 2.408 . . . . 0.0 112.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -90.04 -33.84 16.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.472 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.03 109.17 7.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.34 145.1 8.74 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.853 2.368 . . . . 0.0 112.051 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 131.98 171.92 12.94 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 9.8 p -129.06 145.06 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -138.36 140.93 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 25.1 pt -128.4 129.52 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.473 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.547 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 171.77 174.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . 0.49 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 25.6 mp0 -72.69 161.17 31.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.619 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -104.29 122.58 7.41 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -118.48 133.07 56.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . 0.535 ' O ' ' NE2' ' B' ' 187' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.75 0.31 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 0.495 ' C ' ' OD1' ' B' ' 204' ' ' ASP . 0.8 OUTLIER -87.56 145.06 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.613 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.938 ' O ' ' CB ' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -154.32 98.19 2.55 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -71.97 -21.47 24.31 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.884 2.39 . . . . 0.0 112.102 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -94.41 -62.26 1.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.02 -37.32 87.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.938 ' CB ' ' O ' ' B' ' 204' ' ' ASP . 1.7 tp10 -68.92 -59.22 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -49.75 -53.54 24.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.01 -39.88 87.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.403 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.535 HH22 ' CD ' ' B' ' 269' ' ' GLU . 2.3 ttt180 -55.57 -39.92 71.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -49.6 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.387 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 52.2 m -53.42 -50.16 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.474 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.45 -37.37 94.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.74 66.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 110.393 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.9 tt -61.46 -50.85 71.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.477 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 68.4 mm-40 -54.36 -38.63 66.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.394 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.14 -34.49 66.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.472 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -84.59 -48.25 9.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.503 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -60.34 -49.23 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 89.3 m-20 -61.7 -36.9 82.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.609 ' OE2' ' CD1' ' B' ' 226' ' ' TYR . 2.6 tm-20 -67.25 -34.6 77.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.412 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.76 -40.0 72.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.442 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . 0.6 ' NE ' ' OG ' ' B' ' 246' ' ' SER . 81.6 mtt85 -59.77 -43.9 94.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.501 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . 0.405 ' O ' ' HD3' ' B' ' 229' ' ' ARG . 0.6 OUTLIER -73.28 -35.46 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.676 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.2 OUTLIER -57.43 -58.07 9.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.411 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . 0.636 ' CB ' ' CB ' ' B' ' 242' ' ' PHE . 98.1 p -61.76 -48.26 81.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.476 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -49.49 -40.97 39.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.39 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' B' ' 225' ' ' ARG . 0.7 OUTLIER -67.96 -42.37 81.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.67 ' O ' ' N ' ' B' ' 234' ' ' ALA . 3.4 m-85 -67.98 -42.16 81.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.61 -38.86 70.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.29 -13.49 2.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . 0.967 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -148.31 -65.64 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.967 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -28.83 -125.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.56 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.589 HE22 HG23 ' B' ' 238' ' ' THR . 0.0 OUTLIER -139.61 175.01 9.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -68.79 -20.71 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -54.65 -47.3 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.589 HG23 HE22 ' B' ' 235' ' ' GLN . 4.6 p -71.07 -44.41 65.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -58.57 -41.86 86.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.26 77.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.52 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.657 ' CG2' ' N ' ' B' ' 242' ' ' PHE . 1.7 tt -63.5 -50.13 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.603 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.678 ' CG ' ' N ' ' B' ' 243' ' ' ASP . 0.0 OUTLIER -52.23 -57.67 8.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.678 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -43.35 -42.15 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.514 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 0.577 HD23 ' O ' ' B' ' 244' ' ' LEU . 7.0 tt -75.57 -38.89 58.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.618 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -48.24 81.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . 0.6 ' OG ' ' NE ' ' B' ' 224' ' ' ARG . 1.4 t -50.67 -46.08 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' B' ' 244' ' ' LEU . 0.0 OUTLIER -68.61 -32.32 72.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.611 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 65.2 tp -66.98 -49.05 66.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.667 HD21 HD21 ' B' ' 301' ' ' LEU . 8.3 mt -70.55 -40.21 73.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 83.7 p -79.8 -1.23 37.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.716 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 0.1 OUTLIER -65.99 125.03 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.559 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . 0.427 HG23 ' H ' ' B' ' 252' ' ' THR . 0.2 OUTLIER -65.56 -1.66 2.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.55 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.659 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 20.1 mmm180 -78.24 -45.94 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . 0.853 ' O ' HD12 ' B' ' 258' ' ' LEU . 2.0 tp -80.73 -33.03 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.45 HH21 ' HD3' ' B' ' 255' ' ' ARG . 21.8 ttp180 -63.26 -49.25 74.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.744 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' B' ' 257' ' ' GLU . 9.5 ptm180 -64.93 -38.55 91.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' B' ' 256' ' ' ARG . 13.1 mt-10 -52.56 -51.11 61.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.605 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.853 HD12 ' O ' ' B' ' 254' ' ' LEU . 1.2 mt -58.31 -56.08 26.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . 0.58 ' CD2' ' N ' ' B' ' 259' ' ' PHE . 6.1 m-30 -57.2 -34.17 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.46 94.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.592 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.11 -43.57 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.638 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' B' ' 208' ' ' GLU . 75.5 t -66.48 -39.57 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.33 -11.19 5.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.76 -17.23 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.547 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 117.94 17.96 5.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 57.1 m -97.99 159.24 15.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.65 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.42 146.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.619 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' B' ' 269' ' ' GLU . . . -54.97 -49.71 70.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.535 ' CD ' HH22 ' B' ' 211' ' ' ARG . 4.0 mp0 -38.09 -52.74 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.629 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -75.55 -43.33 49.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.89 ' O ' HG12 ' B' ' 275' ' ' VAL . . . -58.15 -44.89 88.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.621 ' O ' HG12 ' B' ' 276' ' ' ILE . 95.1 t -60.08 -37.31 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.586 ' O ' ' CG ' ' B' ' 277' ' ' GLU . 17.9 ttpt -82.94 -33.47 26.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.7 m -70.89 -53.93 13.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.63 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.89 HG12 ' O ' ' B' ' 271' ' ' ALA . 7.2 p -51.97 -58.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.739 ' H ' HG13 ' B' ' 275' ' ' VAL . 1.8 pp -60.08 -44.25 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.586 ' CG ' ' O ' ' B' ' 273' ' ' LYS . 39.8 mm-40 -59.26 -42.82 92.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -67.05 -35.03 78.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -75.91 -24.72 55.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.556 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.13 82.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.5 -28.99 30.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -62.96 -45.54 91.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 6.7 m-30 -69.58 -40.24 76.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.576 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -58.0 -47.04 84.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.63 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -32.94 -31.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 284' ' ' ALA . 1.7 mm? -77.32 178.25 7.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.465 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 83.7 p -121.87 -6.78 9.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.622 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' B' ' 292' ' ' LYS . 77.5 m-20 -68.33 108.77 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -60.92 -30.36 70.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -55.32 -42.41 73.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' B' ' 291' ' ' LEU . 0.4 OUTLIER -112.27 -43.88 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.579 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.635 ' N ' ' O ' ' B' ' 288' ' ' ASP . 15.2 tttp -48.65 -52.49 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.94 -40.94 95.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -56.39 -28.25 58.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . 0.516 ' O ' ' HB2' ' B' ' 298' ' ' LEU . . . -42.47 -45.92 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.407 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -43.15 -35.02 2.33 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -58.81 -38.95 79.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.47 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' B' ' 295' ' ' ALA . 0.8 OUTLIER -50.18 -53.15 29.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.488 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 5.3 tmm_? -53.12 -42.67 66.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.303 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -68.98 -34.62 75.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.302 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.667 HD21 HD21 ' B' ' 249' ' ' LEU . 7.4 tt -56.93 -45.01 83.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.412 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -57.36 -40.92 92.78 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -37.54 83.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.35 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.455 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 1.7 tpt180 -65.98 -41.62 90.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.342 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' B' ' 309' ' ' LEU . 0.5 OUTLIER -70.79 -39.98 72.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.391 179.744 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . 0.596 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.8 OUTLIER -63.19 -41.05 99.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.322 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -62.63 -45.47 92.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.301 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -76.0 -21.33 57.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.357 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 10.2 tp -64.65 -19.01 65.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.577 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . 0.596 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 3.5 m-20 -108.96 116.56 32.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.692 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 9.2 ptm180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.786 0.327 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.692 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 56.3 m-85 -159.79 165.8 31.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.596 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.547 HG13 ' HB3' ' B' ' 183' ' ' ALA . 78.0 mt -107.76 138.6 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.567 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' B' ' 325' ' ' LEU . 21.8 tp -83.99 118.23 23.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' B' ' 376' ' ' PRO . 10.9 t -123.6 87.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -120.53 142.25 49.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . 0.486 ' O ' ' OD1' ' B' ' 350' ' ' ASP . 3.0 p-10 -58.38 -29.29 65.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.589 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -144.22 117.03 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.454 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 19.8 tp -85.63 129.29 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.647 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 27.8 t -134.54 141.79 46.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.24 -40.12 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 77.5 m -56.17 -44.88 79.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 79.5 p -71.47 -54.95 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.607 ' O ' HD23 ' B' ' 335' ' ' LEU . 1.1 tt -49.74 -37.92 31.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . 0.676 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -71.95 13.85 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' B' ' 335' ' ' LEU . 37.4 tt0 -99.45 -34.6 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.624 ' N ' HD23 ' B' ' 338' ' ' LEU . 0.3 OUTLIER -112.05 151.71 43.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -72.87 141.73 33.98 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.802 2.335 . . . . 0.0 112.117 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -66.59 -14.35 62.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.554 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.781 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 38.9 p-10 -62.13 -44.04 97.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.598 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.781 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 0.1 OUTLIER -80.52 -24.86 39.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.519 HD21 HG23 ' B' ' 346' ' ' VAL . 6.2 tt -67.39 105.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.66 HG12 ' O ' ' B' ' 344' ' ' VAL . 33.5 t -115.44 16.38 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.637 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 170.25 160.45 18.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.519 HG23 HD21 ' B' ' 343' ' ' LEU . 34.9 t -145.67 143.87 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.317 . . . . 0.0 110.604 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 4.2 p -162.48 133.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.478 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.52 HG22 ' SD ' ' B' ' 370' ' ' MET . 10.9 m -123.88 163.01 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -89.37 -48.69 7.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.504 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.613 ' O ' ' C ' ' B' ' 351' ' ' GLY . 3.6 p30 -121.84 -23.2 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.5 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.613 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . -19.4 132.47 0.01 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -78.93 134.37 36.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.571 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.03 -19.65 64.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -94.39 6.8 47.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . 0.472 ' HG ' ' HB2' ' B' ' 358' ' ' ALA . 84.3 p -70.14 164.98 23.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.584 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -45.18 92.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . 0.454 ' O ' HG22 ' B' ' 361' ' ' VAL . . . -69.67 -30.53 68.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.613 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . 0.472 ' HB2' ' HG ' ' B' ' 355' ' ' SER . . . -61.61 -46.75 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 46.2 pt -76.71 -21.29 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . 0.531 ' HG3' HE21 ' B' ' 235' ' ' GLN . 7.4 ttt -63.17 -55.94 20.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.456 ' H ' HG22 ' B' ' 361' ' ' VAL . 4.2 m -66.88 -41.69 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -54.31 -51.37 64.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.674 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -72.76 -22.83 60.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.541 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 364' ' ' LEU . 32.9 tp -71.74 -29.62 64.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.66 25.2 18.76 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 3.8 mm -106.52 124.04 36.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -47.73 130.68 19.23 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.749 2.3 . . . . 0.0 112.148 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 97.1 m -146.02 143.01 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.513 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . 0.585 ' O ' ' SD ' ' B' ' 370' ' ' MET . 2.3 t -124.8 150.98 29.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.585 ' SD ' ' O ' ' B' ' 369' ' ' VAL . 0.0 OUTLIER -130.28 155.79 45.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.621 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 90.46 2.51 73.17 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -49.48 109.59 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 110.507 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -91.03 55.74 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.452 HD11 HD12 ' B' ' 171' ' ' ILE . 1.0 OUTLIER -143.98 130.48 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.484 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.434 ' O ' HD23 ' B' ' 379' ' ' LEU . 26.9 mp0 -68.08 133.46 91.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . 0.484 ' HB3' ' O ' ' B' ' 326' ' ' VAL . 51.0 Cg_endo -72.83 -27.56 14.51 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.82 2.347 . . . . 0.0 112.128 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 83.7 p -71.98 -14.83 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.64 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . 0.576 HG12 ' O ' ' B' ' 378' ' ' VAL . 47.6 t -100.45 0.24 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.529 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' B' ' 380' ' ' HIS . 3.7 mm? -104.44 4.1 32.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.637 ' C ' ' O ' ' B' ' 379' ' ' LEU . 6.6 t-160 15.79 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' B' ' 379' ' ' LEU . 35.8 ptt180 -144.98 29.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -66.36 169.69 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 93.9 m -77.01 129.19 35.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.609 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' B' ' 384' ' ' LEU . 7.3 mt -127.43 142.98 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 83.2 mt -130.39 102.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.59 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 22.7 t -95.0 132.04 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' B' ' 391' ' ' GLY . 67.5 t0 -124.56 88.04 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -58.61 -35.89 82.94 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -49.7 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -90.88 -13.36 33.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 59.46 61.93 6.72 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.29 170.12 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.616 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.8 127.04 45.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.519 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' B' ' 397' ' ' PRO . 5.6 mt -112.26 159.93 18.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.706 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 48.2 t -133.8 119.78 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.577 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.6 OUTLIER 22.47 52.72 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.706 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 52.1 Cg_endo . . . . . 0 C--N 1.305 -1.733 0 C-N-CA 122.904 2.403 . . . . 0.0 112.132 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.425 ' HG2' ' H ' ' A' ' 2' ' ' THR . 2.5 ttm . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.425 ' H ' ' HG2' ' A' ' 1' ' ' MET . 5.1 t -83.19 160.7 21.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.558 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 3' ' ' VAL . 3.0 p -134.91 118.88 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -126.36 173.86 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.623 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.699 ' CD ' ' O ' ' A' ' 5' ' ' GLN . 3.9 pp0? -161.98 135.64 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.496 HG22 ' OE2' ' A' ' 8' ' ' GLU . 61.9 m -82.56 125.83 31.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.62 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.582 HG23 ' OE1' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -126.68 125.05 66.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.497 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.522 ' OE1' ' OE1' ' A' ' 62' ' ' GLN . 4.4 mm-40 -81.46 124.89 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.12 HG21 ' O ' ' A' ' 58' ' ' ALA . 15.7 tt -88.52 105.74 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.718 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.5 OUTLIER -82.68 54.0 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 65.27 24.08 12.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.689 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -163.8 96.8 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.712 ' CD1' ' HG2' ' A' ' 19' ' ' PRO . 2.1 pp -61.42 -2.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 151.92 -135.59 5.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.874 0.369 . . . . 0.0 110.468 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.541 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -166.73 78.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.456 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.626 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 70.73 -16.29 0.34 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.52 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.873 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.9 mtp180 -60.82 -37.41 44.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.873 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 30.9 Cg_endo -66.74 -39.48 15.13 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.711 2.274 . . . . 0.0 111.988 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -71.11 -36.81 72.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.2 tpt -76.21 -38.35 56.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -64.39 -34.56 78.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -43.69 64.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.654 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 18.7 m-85 -58.25 -35.48 71.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.453 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.91 -34.93 57.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.647 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.903 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 38.1 mt -69.48 -38.7 77.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.651 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.845 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 5.8 ttt -59.65 -29.42 68.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.632 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -86.45 -29.01 23.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.56 -25.95 37.32 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.903 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.4 p90 -118.96 136.18 54.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.748 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 42.0 m-20 -78.33 111.15 14.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.613 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.79 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 155.76 147.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.44 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -97.81 127.98 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.033 ' C ' HD22 ' A' ' 35' ' ' LEU . 55.2 t -106.34 132.15 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.455 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.033 HD22 ' C ' ' A' ' 34' ' ' VAL . 2.7 mm? -132.83 138.31 47.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.557 HD22 HG22 ' A' ' 65' ' ' VAL . 26.0 mt -108.59 150.22 27.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.532 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.408 HH21 ' HD3' ' A' ' 37' ' ' ARG . 16.2 ttp-105 -149.02 135.15 19.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.674 ' HA ' HG22 ' A' ' 63' ' ' ILE . 5.3 m120 -91.92 155.95 17.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 49.3 p-10 -52.72 -26.79 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 30.7 tt0 -68.41 -9.84 51.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.23 12.04 60.46 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.3 m -85.42 116.87 23.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 110.568 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.9 103.55 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.645 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.6 65.44 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -40.73 121.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.586 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.591 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.06 -10.22 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -99.66 27.84 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.67 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.8 123.79 12.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.495 HG21 HD21 ' B' ' 248' ' ' LEU . 14.9 p -63.67 -35.83 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.6 HD12 ' OE1' ' B' ' 282' ' ' GLN . 0.1 OUTLIER -61.67 -36.62 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.645 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.59 -43.03 90.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.701 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -58.42 -39.27 79.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HG ' ' HB3' ' B' ' 291' ' ' LEU . 7.7 mp -64.12 -36.27 83.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.593 ' O ' ' SD ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -68.71 -36.27 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.643 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.8 tt -63.3 -35.43 80.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.479 ' C ' ' OD2' ' B' ' 288' ' ' ASP . 73.6 m-20 -53.0 -35.1 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.587 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -76.16 -6.78 52.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.638 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.12 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -83.2 29.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.11 97.37 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.943 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 105.16 6.35 39.48 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 1.006 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -106.37 165.71 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.648 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.522 ' OE1' ' OE1' ' A' ' 8' ' ' GLU . 8.2 mm-40 -99.03 143.08 29.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.495 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.674 HG22 ' HA ' ' A' ' 38' ' ' ASN . 23.2 pt -130.84 163.09 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.638 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -124.55 100.71 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.557 HG22 HD22 ' A' ' 36' ' ' LEU . 46.5 t -80.58 127.32 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.531 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -120.0 138.3 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.432 ' O ' HG12 ' A' ' 3' ' ' VAL . . . -137.11 131.35 32.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.555 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.69 129.14 49.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.648 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.489 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.28 161.32 8.72 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -46.55 -45.72 18.93 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.791 2.328 . . . . 0.0 112.201 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' GLU . 25.6 mt-30 -93.07 5.25 52.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.569 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 15.8 pt-20 -35.97 -37.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -63.5 -49.01 75.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.654 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -57.38 -51.76 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.527 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.91 -49.89 70.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -64.86 -43.78 91.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.39 99.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.49 99.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 75' ' ' ALA . 77.8 t -67.35 -42.17 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.653 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.515 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -65.02 -41.23 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.554 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.473 ' N ' ' CG2' ' A' ' 80' ' ' ILE . . . -64.27 -35.47 80.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.508 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -73.42 -37.93 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.9 m-30 -70.07 -32.52 70.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 80' ' ' ILE . 72.2 m-80 -81.43 -6.75 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.555 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 48.6 mm -118.89 132.0 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -86.77 107.47 18.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 1.034 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -115.96 150.25 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.46 118.63 55.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.18 102.0 1.3 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.825 2.35 . . . . 0.0 112.119 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . 0.486 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -72.1 -24.91 61.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -155.11 135.31 8.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.583 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -72.68 144.87 40.38 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.798 2.332 . . . . 0.0 112.115 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 143.16 152.17 5.61 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 43.9 t -115.76 134.42 59.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.718 0.294 . . . . 0.0 110.585 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -153.0 150.65 29.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . 0.524 HG22 HG22 ' B' ' 385' ' ' ILE . 1.8 pp -127.01 131.44 70.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -169.7 178.89 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.631 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . 0.522 ' CD ' ' N ' ' B' ' 184' ' ' GLU . 0.3 OUTLIER -96.26 162.06 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -78.82 138.82 21.37 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -146.65 147.05 30.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.742 0.306 . . . . 0.0 110.603 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 2.1 mt -46.75 114.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.604 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 24.6 p-10 -153.41 63.36 4.53 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.607 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 44.8 Cg_endo -71.97 -43.9 1.07 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.836 2.357 . . . . 0.0 112.137 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.02 81.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . 0.524 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 10.1 mp -79.18 -44.54 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 68.8 mm-40 -71.63 -56.13 6.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.644 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . 0.607 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 4.1 tmt_? -43.65 -52.39 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -68.74 -33.12 73.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.468 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.656 ' NE ' ' CD1' ' B' ' 309' ' ' LEU . 40.4 ttt180 -55.62 -45.19 77.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 9.5 mt -66.67 -49.68 65.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.461 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . 0.418 ' OG1' ' CZ ' ' B' ' 255' ' ' ARG . 95.4 m -56.3 -52.27 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.42 -37.54 93.36 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -73.02 -44.51 60.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.741 0.305 . . . . 0.0 110.478 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' B' ' 220' ' ' ALA . 39.3 mt -59.56 -57.69 11.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.53 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.542 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 0.7 OUTLIER -49.81 -32.2 13.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . 0.505 ' N ' ' HG3' ' B' ' 217' ' ' GLU . 29.9 tt0 -79.18 -31.67 43.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . 0.515 ' HB2' ' ND1' ' B' ' 308' ' ' HIS . . . -89.51 -50.55 6.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.47 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.03 -49.55 73.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.522 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' B' ' 225' ' ' ARG . 73.8 m-20 -63.82 -34.79 78.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.493 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.431 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 5.7 tm-20 -70.39 -31.89 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.538 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -58.17 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . 0.527 ' NH1' ' OD1' ' B' ' 221' ' ' ASN . 14.0 ptt180 -65.83 -26.21 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . 0.74 ' HE ' HH12 ' B' ' 229' ' ' ARG . 20.0 mmm-85 -74.32 -44.21 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' B' ' 222' ' ' GLU . 0.2 OUTLIER -67.58 -44.36 78.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.492 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . 0.485 ' HB3' ' HB3' ' B' ' 242' ' ' PHE . 90.1 p -59.85 -48.72 80.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.465 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -39.69 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . 0.74 HH12 ' HE ' ' B' ' 225' ' ' ARG . 1.1 mpp_? -69.81 -41.77 74.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.53 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.538 ' O ' ' N ' ' B' ' 234' ' ' ALA . 0.1 OUTLIER -65.17 -42.17 93.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.404 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -54.24 -36.31 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.488 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.3 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -123.54 -60.78 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -58.67 -163.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 110.629 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.497 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 0.0 OUTLIER -94.39 -170.45 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . 0.497 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 60.1 tttp -75.38 -38.69 59.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.449 ' CG ' ' NE2' ' B' ' 235' ' ' GLN . 2.1 mt-10 -40.51 -53.43 2.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.538 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.562 HG22 ' SD ' ' B' ' 360' ' ' MET . 21.8 p -50.99 -56.73 11.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -57.87 -46.97 84.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.546 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . 0.683 ' O ' ' OD1' ' B' ' 243' ' ' ASP . . . -61.83 -37.64 85.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.629 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.478 HD13 ' OE1' ' B' ' 356' ' ' GLN . 55.9 mt -73.9 -55.43 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.669 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' B' ' 245' ' ' TYR . 10.3 m-85 -61.63 -63.19 1.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.683 ' OD1' ' O ' ' B' ' 240' ' ' ALA . 7.9 p-10 -36.27 -40.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 0.631 ' N ' ' OD1' ' B' ' 243' ' ' ASP . 18.8 tp -71.16 -41.58 70.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.693 ' HA ' HD22 ' B' ' 248' ' ' LEU . 0.4 OUTLIER -65.29 -40.65 94.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.681 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 29.1 t -47.55 -42.3 23.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' B' ' 251' ' ' ASP . 15.6 t60 -68.51 -24.87 64.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.693 HD22 ' HA ' ' B' ' 245' ' ' TYR . 4.3 mp -65.29 -51.06 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.565 ' HG ' HD11 ' B' ' 301' ' ' LEU . 5.5 mp -61.82 -43.96 97.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 20.4 p -83.99 -6.72 59.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.682 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' B' ' 247' ' ' HIS . 39.9 t0 -49.17 109.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.646 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.89 -17.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.607 HH21 ' HB2' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -75.73 -55.07 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -47.19 86.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.717 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.485 HH12 ' NE ' ' B' ' 209' ' ' ARG . 12.8 ttt85 -57.49 -47.27 82.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . 0.658 ' HE ' ' HA ' ' B' ' 256' ' ' ARG . 1.1 tpm_? -51.88 -42.06 62.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -60.17 -45.32 93.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.635 HD23 HG21 ' B' ' 275' ' ' VAL . 14.3 mt -63.12 -46.56 86.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . 0.467 ' O ' ' CD1' ' B' ' 259' ' ' PHE . 2.7 t80 -66.11 -34.56 78.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.647 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.97 95.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.18 -37.93 89.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' B' ' 205' ' ' PRO . 53.5 t -65.02 -38.32 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.25 -11.52 22.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -90.99 -21.1 21.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 118.11 18.25 5.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.7 p -99.87 163.3 12.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . 0.533 HG13 ' H ' ' B' ' 270' ' ' TRP . 12.1 p -100.51 148.11 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.49 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.634 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -52.09 -53.23 44.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.531 ' OE1' ' NH2' ' B' ' 211' ' ' ARG . 1.5 mp0 -36.01 -53.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.484 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . 0.533 ' H ' HG13 ' B' ' 267' ' ' VAL . 4.3 m95 -83.32 -38.22 22.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.492 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -51.95 -53.65 38.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.614 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.522 HG12 HD13 ' B' ' 258' ' ' LEU . 12.1 m -64.53 -32.49 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.51 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -72.16 -47.79 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.56 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 94.1 m -63.42 -59.29 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.635 HG21 HD23 ' B' ' 258' ' ' LEU . 76.4 t -50.92 -57.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.573 HD13 ' HA2' ' B' ' 302' ' ' GLY . 72.5 mt -54.38 -44.18 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.35 -38.76 88.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -64.07 -36.66 84.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.595 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -35.25 77.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.53 81.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.63 -37.33 79.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . 0.6 ' OE1' HD12 ' A' ' 50' ' ' ILE . 3.5 tt0 -65.11 -44.61 88.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -54.18 -47.0 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.655 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.36 84.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -40.5 -38.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.489 HD13 ' HB3' ' A' ' 53' ' ' LEU . 1.4 mt -64.16 151.33 43.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.596 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.23 -45.29 11.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.648 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.614 ' HB3' HD11 ' B' ' 291' ' ' LEU . 0.4 OUTLIER -41.36 130.3 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . 0.518 ' ND2' ' N ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -77.34 -41.11 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.489 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . 0.825 ' O ' ' OE2' ' B' ' 293' ' ' GLU . 19.3 t80 -39.94 -27.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.493 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.618 ' O ' ' N ' ' B' ' 294' ' ' ARG . 0.0 OUTLIER -95.84 -49.12 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' B' ' 291' ' ' LEU . 47.9 mttm -31.2 -50.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.387 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . 0.825 ' OE2' ' O ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -65.73 -41.37 92.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.444 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' B' ' 291' ' ' LEU . 0.4 OUTLIER -52.85 -35.12 57.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.442 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -46.16 -46.13 17.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.42 -40.88 24.03 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.563 ' HB3' ' CZ ' ' B' ' 245' ' ' TYR . 5.6 m-20 -63.66 -38.25 90.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.409 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -48.5 75.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.351 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . 0.536 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 0.2 OUTLIER -51.06 -36.8 41.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.338 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 303' ' ' GLN . . . -65.36 -36.45 84.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.402 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.565 HD11 ' HG ' ' B' ' 249' ' ' LEU . 3.1 tt -52.52 -48.47 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.367 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . 0.617 ' O ' HD12 ' B' ' 306' ' ' LEU . . . -60.29 -41.35 98.32 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . 0.838 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.4 OUTLIER -70.03 -43.23 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.449 179.751 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.838 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 4.1 mmm180 -65.14 -41.64 94.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.42 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . 0.557 ' O ' HD23 ' B' ' 305' ' ' LEU . 0.9 OUTLIER -70.67 -35.81 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.41 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . 0.617 HD12 ' O ' ' B' ' 302' ' ' GLY . 9.4 mt -64.21 -39.48 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.44 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . 0.672 ' O ' ' CD1' ' B' ' 307' ' ' PHE . 0.1 OUTLIER -67.17 -37.87 84.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.46 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . 0.755 ' ND1' ' O ' ' B' ' 304' ' ' ARG . 42.8 m80 -75.51 -28.19 59.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.48 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.678 ' O ' HD12 ' B' ' 309' ' ' LEU . 0.1 OUTLIER -83.62 -10.05 58.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -133.84 71.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.572 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.65 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 10.6 ptm85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.818 0.342 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.65 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 26.1 m-85 -171.64 171.31 5.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' B' ' 184' ' ' GLU . 0.0 OUTLIER -116.19 139.92 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.441 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.601 ' HB3' HG13 ' B' ' 346' ' ' VAL . 2.1 tp -78.83 119.42 22.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.404 HG23 HG22 ' B' ' 324' ' ' ILE . 82.3 t -118.79 95.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.523 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.632 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -137.13 169.86 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 46.3 p30 -82.62 -26.37 32.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 19.2 tt0 -148.92 127.46 12.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.975 HD23 ' H ' ' B' ' 330' ' ' LEU . 1.5 pt? -80.72 131.93 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.517 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . 0.525 ' O ' ' OG1' ' B' ' 334' ' ' THR . 47.7 t -138.39 140.35 39.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.69 92.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.487 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 40.5 p -54.55 -44.01 72.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.569 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' B' ' 331' ' ' SER . 33.2 p -64.96 -48.83 72.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.576 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' B' ' 337' ' ' GLU . 95.1 mt -58.57 -32.85 69.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -66.59 5.75 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' B' ' 335' ' ' LEU . 4.8 mm-40 -99.9 -39.66 8.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.516 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 5.4 mt -107.29 151.42 40.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -73.0 137.82 27.24 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.855 2.37 . . . . 0.0 112.127 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . 0.587 ' CD ' ' O ' ' B' ' 340' ' ' GLN . 25.3 tm0? -66.0 -2.1 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.54 -39.55 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.458 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.445 HH21 ' HD3' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -85.06 -17.86 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.46 101.09 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.515 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 27.9 m -118.3 17.33 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.598 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 168.81 153.08 8.09 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.601 HG13 ' HB3' ' B' ' 325' ' ' LEU . 6.7 t -139.24 150.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.578 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . 0.486 HG23 HG23 ' B' ' 369' ' ' VAL . 7.3 p -157.83 124.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.482 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 21.6 m -124.52 161.4 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . 0.496 ' HD2' HH21 ' B' ' 349' ' ' ARG . 8.4 ttm180 -83.66 -38.74 21.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.472 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.806 ' O ' ' O ' ' B' ' 351' ' ' GLY . 0.0 OUTLIER -133.32 -72.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.645 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.806 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 43.37 129.71 0.0 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . 0.589 ' HB3' ' HB3' ' B' ' 355' ' ' SER . . . -62.45 147.06 49.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.384 . . . . 0.0 110.447 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -91.88 -17.15 25.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -101.27 0.78 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . 0.589 ' HB3' ' HB3' ' B' ' 352' ' ' ALA . 77.8 p -65.71 149.67 49.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . 0.478 ' OE1' HD13 ' B' ' 241' ' ' ILE . 19.4 pt20 -55.07 -38.26 67.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.63 90.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.37 82.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 3.4 mm -68.55 -31.88 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . 0.562 ' SD ' HG22 ' B' ' 238' ' ' THR . 37.1 ttp -65.3 -41.4 94.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 1.5 t -63.48 -41.73 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -59.42 -39.93 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -78.21 -27.76 47.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.42 -34.42 78.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.51 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 91.77 20.44 37.04 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . 0.667 HG13 ' HD2' ' B' ' 367' ' ' PRO . 2.4 tp -107.56 138.66 20.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 110.633 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' B' ' 366' ' ' ILE . 54.8 Cg_endo -73.63 138.6 26.88 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.777 2.318 . . . . 0.0 112.158 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . 0.408 HG23 ' HB ' ' B' ' 346' ' ' VAL . 85.4 m -146.32 144.7 29.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.527 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . 0.486 HG23 HG23 ' B' ' 347' ' ' VAL . 2.2 m -125.38 154.29 33.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 1.034 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 10.2 mtp -131.83 161.24 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.637 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 97.67 -5.33 62.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -51.46 111.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 48.9 p-10 -102.53 55.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.545 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 6.4 mt -130.09 135.6 60.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.557 ' N ' ' OE1' ' B' ' 375' ' ' GLN . 0.4 OUTLIER -73.65 118.08 66.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.605 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' B' ' 379' ' ' LEU . 52.1 Cg_exo -48.1 -20.84 2.41 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.848 2.365 . . . . 0.0 112.162 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 46.5 t -57.13 -46.81 82.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . 0.43 HG12 ' O ' ' B' ' 375' ' ' GLN . 4.0 p -74.54 -34.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' B' ' 381' ' ' ARG . 3.1 mt -62.14 -29.81 70.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.522 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.6 ' C ' ' O ' ' B' ' 379' ' ' LEU . 2.8 m-70 22.7 -86.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.516 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' B' ' 379' ' ' LEU . 64.0 mtm-85 -139.38 24.59 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . 0.456 ' NH2' ' OD2' ' B' ' 396' ' ' ASP . 13.2 mmt180 -65.08 164.55 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 6.2 m -80.58 126.04 30.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.626 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.746 HD13 ' N ' ' B' ' 385' ' ' ILE . 0.5 OUTLIER -131.71 116.16 16.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.574 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . 0.746 ' N ' HD13 ' B' ' 384' ' ' LEU . 9.6 pt -101.04 115.4 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.599 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 88.6 t -94.85 139.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' B' ' 391' ' ' GLY . 52.5 t0 -133.28 85.88 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.533 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.45 -44.32 28.45 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -52.45 -46.07 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.532 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -95.16 -6.11 42.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 46.27 59.93 4.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.98 171.29 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' B' ' 393' ' ' LEU . 0.3 OUTLIER -139.66 128.5 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.516 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.506 ' O ' HD22 ' B' ' 384' ' ' LEU . 1.3 mt -112.21 157.55 20.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.67 ' O ' ' C ' ' B' ' 396' ' ' ASP . 8.8 p -114.55 123.59 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.478 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.67 ' C ' ' O ' ' B' ' 395' ' ' VAL . 48.1 p-10 -3.76 74.3 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.662 ' N ' ' O ' ' B' ' 395' ' ' VAL . 39.6 Cg_endo . . . . . 0 C--N 1.305 -1.76 0 C-N-CA 122.847 2.365 . . . . 0.0 112.181 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptt? . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.451 HG22 ' HB ' ' A' ' 68' ' ' THR . 67.6 p -83.67 158.97 21.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.7 t -132.9 117.66 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.645 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -122.8 174.85 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.98 ' OE1' HD21 ' A' ' 76' ' ' LEU . 5.3 pt20 -163.12 134.17 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.53 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -82.23 125.54 31.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.707 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -127.2 125.65 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.56 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -82.03 127.36 33.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 13' ' ' LEU . 48.8 mm -89.7 105.13 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 p -82.8 56.47 3.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 62.79 26.19 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.481 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 1.1 ttmp? -167.58 98.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HA ' HD12 ' A' ' 9' ' ' ILE . 2.7 mp -62.56 -3.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.535 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 112.03 25.66 4.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 1.093 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.6 mtm 83.95 33.22 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.608 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.731 ' O ' ' SD ' ' A' ' 21' ' ' MET . 0.4 OUTLIER -13.42 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.455 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 1.093 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -51.29 -10.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.493 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.839 ' H ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -136.67 -51.98 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.498 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.839 ' HD2' ' H ' ' A' ' 18' ' ' ARG . 51.4 Cg_exo -49.54 -60.34 0.89 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.921 2.414 . . . . 0.0 112.123 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB3' ' HE1' ' A' ' 21' ' ' MET . . . -55.87 -45.38 78.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.731 ' SD ' ' O ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -66.75 -43.86 82.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -60.99 -37.32 82.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' HA ' HD12 ' A' ' 23' ' ' LEU . 17.6 tp -49.39 -47.73 47.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.617 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 16.5 m-85 -55.45 -39.48 70.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.467 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -73.48 -34.38 65.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.52 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.642 HD22 ' CE1' ' A' ' 30' ' ' PHE . 85.3 mt -67.26 -44.04 80.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.628 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.609 ' CE ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -54.86 -34.05 62.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -79.19 -32.76 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.574 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.91 -33.99 31.9 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.642 ' CE1' HD22 ' A' ' 26' ' ' LEU . 16.3 m-85 -103.54 158.88 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.595 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 41.0 t0 -101.44 93.62 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.683 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.609 ' O ' ' CE ' ' A' ' 27' ' ' MET . . . 168.17 156.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.463 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -100.93 129.49 46.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.583 HG23 ' CE ' ' A' ' 27' ' ' MET . 90.6 t -106.62 133.72 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.1 mt -134.19 138.08 44.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.631 HD22 HG22 ' A' ' 65' ' ' VAL . 20.4 mt -107.51 149.92 27.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.484 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.475 HH21 ' HD2' ' A' ' 37' ' ' ARG . 37.6 mtm180 -146.39 135.38 22.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -92.9 154.84 17.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -27.88 16.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.553 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -68.27 -11.03 58.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.75 11.32 59.27 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.24 117.22 23.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.332 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.25 102.78 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.558 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.639 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -88.66 65.6 7.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -40.98 121.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.617 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.58 -9.07 11.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -100.23 27.24 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -145.94 124.5 12.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.676 ' O ' HD13 ' A' ' 53' ' ' LEU . 7.3 p -63.89 -35.91 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.413 ' N ' HG13 ' A' ' 49' ' ' VAL . 90.2 mt -60.75 -37.52 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.593 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.14 -43.14 92.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD21 ' HE1' ' A' ' 21' ' ' MET . 41.5 tp -57.88 -38.47 75.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.708 ' CD1' ' N ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.3 -36.07 82.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.7 mtt -67.41 -40.3 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 4.1 mt -60.15 -35.74 75.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -52.44 -34.27 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.4 t -77.87 -6.4 54.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.04 29.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 96.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.18 4.66 38.23 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HD3' HH21 ' A' ' 61' ' ' ARG . 7.9 mtm180 -105.35 164.63 11.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 0.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -98.08 143.68 28.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 pt -131.23 162.07 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.595 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.448 ' OE2' ' HB2' ' A' ' 4' ' ' LYS . 19.6 tp10 -124.0 101.36 7.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.631 HG22 HD22 ' A' ' 36' ' ' LEU . 89.0 t -81.05 128.15 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -120.33 138.41 53.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.28 130.85 31.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.525 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.6 t -123.98 128.73 49.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.468 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 32' ' ' ALA . . . 142.64 161.29 8.72 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.67 ' O ' ' OE2' ' A' ' 73' ' ' GLU . 54.7 Cg_exo -46.91 -44.56 22.41 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.839 2.359 . . . . 0.0 112.127 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 74' ' ' GLU . 14.5 mm100 -93.94 5.87 50.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 16.7 pt-20 -37.13 -36.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.671 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.67 ' OE2' ' O ' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -64.6 -49.75 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' GLN . 36.2 tp10 -56.91 -52.12 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.17 -49.45 71.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.98 HD21 ' OE1' ' A' ' 5' ' ' GLN . 6.3 tt -64.7 -44.53 89.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 80' ' ' ILE . . . -62.43 -42.27 99.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.98 99.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.88 -42.74 89.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.548 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.759 HD12 ' OE1' ' A' ' 5' ' ' GLN . 0.8 OUTLIER -64.43 -41.08 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.519 ' N ' ' CG2' ' A' ' 80' ' ' ILE . . . -64.18 -35.59 81.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -73.61 -39.23 64.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.472 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.714 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.02 -24.05 61.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.512 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -89.03 -3.18 58.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.559 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' B' ' 393' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.48 129.48 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.659 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -84.13 103.18 13.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -101.23 159.62 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.4 119.64 77.52 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.51 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.51 107.13 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.912 2.408 . . . . 0.0 112.195 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . 0.459 ' HB1' ' NH2' ' B' ' 362' ' ' ARG . . . -89.44 -34.03 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.608 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . 0.524 ' HB3' ' H ' ' B' ' 368' ' ' THR . . . -138.75 102.37 7.77 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.14 135.45 18.88 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.82 2.346 . . . . 0.0 112.143 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 143.46 171.24 13.63 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . 0.526 HG22 ' N ' ' B' ' 181' ' ' ALA . 8.7 p -125.42 159.35 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.301 . . . . 0.0 110.619 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . 0.526 ' N ' HG22 ' B' ' 180' ' ' VAL . . . -163.72 147.26 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 1.4 pp -129.49 128.73 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.617 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 177.78 177.32 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.511 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . 0.623 ' H ' ' CD ' ' B' ' 184' ' ' GLU . 2.2 pm0 -81.03 165.99 21.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -99.45 134.05 11.53 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . 0.454 ' HB3' ' O ' ' B' ' 324' ' ' ILE . 80.9 t90 -110.57 102.86 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.731 0.301 . . . . 0.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . 0.546 ' O ' ' NE2' ' B' ' 187' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 70.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.784 0.326 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 0.809 HD23 ' N ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -82.93 136.04 34.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.712 ' OD1' ' OE2' ' B' ' 208' ' ' GLU . 1.2 p30 -153.49 77.01 6.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.615 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.22 -24.75 3.92 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.789 2.326 . . . . 0.0 112.11 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -78.37 -48.75 14.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.489 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' B' ' 211' ' ' ARG . 74.9 mt -80.41 -42.98 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.712 ' OE2' ' OD1' ' B' ' 204' ' ' ASP . 0.6 OUTLIER -59.16 -59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.489 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -55.78 -45.33 78.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -68.38 -40.66 81.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' B' ' 207' ' ' LEU . 34.9 mtp180 -55.84 -44.09 77.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.469 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.529 ' CD1' HD13 ' B' ' 258' ' ' LEU . 3.4 mm? -67.83 -50.38 56.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 27.8 m -53.59 -47.99 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.75 -35.7 92.36 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . 0.712 ' HB2' HD12 ' B' ' 309' ' ' LEU . . . -68.99 -45.37 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.506 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.74 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.6 OUTLIER -58.46 -42.53 87.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.54 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.626 ' HG2' ' ND2' ' B' ' 221' ' ' ASN . 0.0 OUTLIER -58.83 -27.09 64.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.515 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -92.58 -33.48 14.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.445 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . 0.694 ' O ' ' HG3' ' B' ' 222' ' ' GLU . . . -91.17 -36.38 13.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -72.85 -51.76 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.518 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.626 ' ND2' ' HG2' ' B' ' 217' ' ' GLU . 88.8 m-20 -59.32 -44.69 92.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.694 ' HG3' ' O ' ' B' ' 219' ' ' ALA . 0.0 OUTLIER -62.03 -39.13 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.413 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . 0.503 ' N ' ' OE2' ' B' ' 222' ' ' GLU . 0.2 OUTLIER -64.04 -52.22 60.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 28.6 ttm105 -66.26 -38.77 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.512 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -66.68 -34.25 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.65 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 10.5 m-30 -59.69 -47.97 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.523 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.72 -48.72 40.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -59.2 -36.89 76.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . 0.407 ' NH1' ' CD1' ' B' ' 226' ' ' TYR . 3.6 ttm-85 -66.78 -43.28 84.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -71.07 -40.22 71.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.07 -31.93 61.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -53.76 -18.82 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . 0.917 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -157.09 -97.67 0.13 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.917 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . 7.5 -140.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.568 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.484 ' O ' ' OG1' ' B' ' 238' ' ' THR . 20.6 pt20 -128.13 179.21 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -73.23 -30.86 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.466 ' OE1' ' NE2' ' B' ' 235' ' ' GLN . 2.8 tt0 -57.04 -35.61 69.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.608 ' O ' HG12 ' B' ' 241' ' ' ILE . 39.9 p -63.26 -56.87 12.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -68.88 -26.97 65.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.43 99.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.692 HG13 ' H ' ' B' ' 242' ' ' PHE . 21.9 pt -73.38 -54.6 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.692 ' H ' HG13 ' B' ' 241' ' ' ILE . 22.8 m-85 -52.97 -65.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 242' ' ' PHE . 19.9 t70 -38.23 -37.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 1.021 HD23 ' O ' ' B' ' 244' ' ' LEU . 4.8 tt -71.51 -42.24 68.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' B' ' 242' ' ' PHE . 2.0 m-85 -68.74 -37.13 79.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . 0.647 ' O ' HD23 ' B' ' 249' ' ' LEU . 74.0 m -47.42 -47.56 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.601 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.517 ' HA ' ' OG ' ' B' ' 250' ' ' SER . 0.0 OUTLIER -81.46 -20.35 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.626 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 5.2 tt -66.1 -50.4 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.657 HD23 ' H ' ' B' ' 250' ' ' SER . 0.3 OUTLIER -79.65 -36.99 36.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.653 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . 0.657 ' H ' HD23 ' B' ' 249' ' ' LEU . 27.7 p -67.24 -20.17 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.752 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 53.3 p30 -49.7 133.11 21.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' B' ' 256' ' ' ARG . 0.2 OUTLIER -58.81 4.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.609 ' H ' ' C ' ' B' ' 251' ' ' ASP . 5.7 mtm-85 -87.54 -43.57 11.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . 0.488 HD22 ' HA ' ' B' ' 249' ' ' LEU . 17.8 tp -59.72 -51.93 67.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.619 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' B' ' 250' ' ' SER . 0.0 OUTLIER -66.41 -42.62 87.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' B' ' 252' ' ' THR . 9.3 tmm_? -55.07 -49.77 70.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.613 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -58.8 -45.27 90.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.582 ' CD2' HG21 ' B' ' 275' ' ' VAL . 29.2 mt -59.92 -54.96 40.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.591 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -57.88 -35.96 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.7 86.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . 0.413 ' C ' ' OG ' ' B' ' 266' ' ' SER . 76.9 mm-40 -65.4 -37.59 87.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.517 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 98.1 t -64.33 -38.41 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.598 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -57.67 -18.23 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.524 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -93.52 -24.88 17.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.557 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.47 24.93 1.69 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . 0.413 ' OG ' ' C ' ' B' ' 261' ' ' GLU . 53.1 p -95.19 158.46 15.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.604 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 28.2 t -104.06 148.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.525 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -49.53 -40.47 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.439 ' CD ' HH12 ' B' ' 211' ' ' ARG . 2.3 mp0 -52.85 -48.63 66.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -82.45 -34.17 28.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.506 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -55.2 -50.89 68.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.741 ' O ' HG23 ' B' ' 276' ' ' ILE . 32.9 m -63.42 -33.8 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.499 ' O ' HG12 ' B' ' 276' ' ' ILE . 30.6 ttpt -73.56 -48.68 31.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 33.9 p -61.08 -53.98 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.582 HG21 ' CD2' ' B' ' 258' ' ' LEU . 53.6 t -49.55 -61.58 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.469 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.741 HG23 ' O ' ' B' ' 272' ' ' VAL . 36.2 pt -53.89 -38.88 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.465 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.65 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 4.3 mm-40 -66.12 -44.08 85.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.01 -37.89 84.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -73.48 -30.35 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.86 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.65 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 5.5 mp0 -69.12 -47.66 64.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . 0.426 ' O ' HD12 ' B' ' 286' ' ' LEU . 1.4 mt-30 -64.1 -32.7 74.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.57 ' O ' HD11 ' B' ' 291' ' ' LEU . 0.8 OUTLIER -63.63 -52.52 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -64.2 -45.49 88.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.565 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -36.21 -39.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.63 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.718 HD13 HD13 ' B' ' 291' ' ' LEU . 1.0 OUTLIER -67.04 161.69 23.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.575 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 10.6 m -106.88 -24.75 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.46 ' OD2' ' HB3' ' B' ' 286' ' ' LEU . 0.0 OUTLIER -43.88 125.86 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.619 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -65.17 -50.7 64.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.466 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . 0.404 ' CE2' ' NE2' ' A' ' 16' ' ' HIS . 5.8 t80 -49.39 -23.19 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.546 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.718 HD13 HD13 ' B' ' 286' ' ' LEU . 0.0 OUTLIER -84.9 -62.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.476 ' H ' HD23 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -38.38 -39.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.482 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -71.97 -47.42 52.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.365 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 291' ' ' LEU . 60.0 mtp180 -59.72 -27.94 66.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.408 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -50.18 -46.2 54.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -47.31 -43.73 19.84 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.491 ' HB3' ' CE1' ' B' ' 245' ' ' TYR . 4.6 m-20 -64.63 -38.96 92.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 110.349 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . 0.519 HD12 ' CE1' ' B' ' 283' ' ' PHE . 1.1 tt -54.52 -54.02 46.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.454 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . 0.411 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 5.5 tmm_? -52.02 -39.61 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.317 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' B' ' 303' ' ' GLN . . . -65.62 -38.29 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.289 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.494 HD13 ' O ' ' B' ' 301' ' ' LEU . 0.2 OUTLIER -54.26 -46.22 72.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.417 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.96 -41.45 98.65 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . 0.542 ' HG2' ' N ' ' B' ' 304' ' ' ARG . 1.2 pt20 -67.62 -39.39 84.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.286 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.542 ' N ' ' HG2' ' B' ' 303' ' ' GLN . 6.5 mmm-85 -66.31 -42.68 87.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.364 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 3.2 tt -69.44 -35.08 75.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.385 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -42.28 97.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.433 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' B' ' 310' ' ' ASP . 1.4 m-85 -62.95 -43.31 99.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.462 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -69.19 -23.12 63.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.464 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.712 HD12 ' HB2' ' B' ' 215' ' ' ALA . 5.7 tp -62.23 -14.57 39.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' B' ' 307' ' ' PHE . 0.4 OUTLIER -113.45 118.45 34.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.538 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.581 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.421 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 19.5 mtp85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.76 0.314 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 172.58 148.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.69 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.563 HG12 ' HA2' ' B' ' 185' ' ' GLY . 1.9 pt -113.14 158.38 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.575 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 59.8 mt -89.93 130.7 36.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.654 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 4.1 t -134.4 96.09 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.18 149.03 48.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -63.5 -30.09 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.554 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.16 131.08 38.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.537 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.611 ' O ' HD12 ' B' ' 330' ' ' LEU . 0.3 OUTLIER -84.19 140.46 31.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.54 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 45.8 t -142.74 124.26 14.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.81 -41.36 70.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.414 HG21 ' CB ' ' B' ' 300' ' ' ALA . 90.5 m -59.85 -46.05 90.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 86.4 m -58.19 -53.52 57.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.487 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.667 HD21 HD22 ' B' ' 343' ' ' LEU . 0.4 OUTLIER -54.62 -31.81 57.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.512 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -72.67 16.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' B' ' 335' ' ' LEU . 96.1 mt-10 -109.01 -32.63 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.585 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.438 ' H ' HD12 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -107.87 125.1 32.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.35 148.63 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.867 2.378 . . . . 0.0 112.083 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.17 -10.03 55.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -70.67 -42.0 71.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.564 ' O ' HG23 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -78.8 -26.54 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.556 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.667 HD22 HD21 ' B' ' 335' ' ' LEU . 18.0 tp -66.97 104.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.564 HG23 ' O ' ' B' ' 342' ' ' ARG . 10.7 t -122.33 3.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.522 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 179.79 161.41 26.99 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 96.7 t -141.32 141.0 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 59.4 t -146.32 121.21 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.464 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 69.0 t -119.54 152.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.565 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . 0.547 ' HE ' ' C ' ' B' ' 373' ' ' ASP . 1.6 tpt180 -84.66 -40.69 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.61 ' O ' ' C ' ' B' ' 351' ' ' GLY . 5.1 t70 -135.54 -84.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 20.42 62.33 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . 0.79 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -83.69 175.54 9.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 110.531 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 93.75 -170.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.599 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . 0.844 ' O ' ' HB3' ' B' ' 358' ' ' ALA . 7.3 p-10 -73.31 -38.93 65.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . 0.778 ' O ' ' O ' ' B' ' 354' ' ' ASN . 0.1 OUTLIER 36.11 114.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' B' ' 355' ' ' SER . 5.6 mp0 -38.22 -39.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.3 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . 0.844 ' HB3' ' O ' ' B' ' 354' ' ' ASN . . . -58.32 -46.92 85.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 13.9 tt -72.02 -26.21 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -67.01 -49.48 65.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.554 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.407 HG23 ' N ' ' B' ' 362' ' ' ARG . 16.7 m -63.19 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.581 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.507 ' NH1' ' HB1' ' B' ' 358' ' ' ALA . 12.2 mtm-85 -59.05 -52.01 67.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.56 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.48 -27.07 68.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.457 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -30.7 68.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 88.11 29.7 19.34 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 96.5 mt -108.55 126.35 29.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.658 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.53 120.56 4.64 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.818 2.345 . . . . 0.0 112.121 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . 0.524 ' H ' ' HB3' ' B' ' 177' ' ' ALA . 91.8 m -142.62 145.43 33.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.551 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 19.2 m -141.07 154.33 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.642 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.439 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 6.1 ptp -135.73 171.0 15.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.497 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 84.98 3.76 87.55 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . 0.514 ' O ' ' NE ' ' B' ' 349' ' ' ARG . . . -53.6 115.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.752 0.31 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . 0.547 ' C ' ' HE ' ' B' ' 349' ' ' ARG . 74.6 m-20 -79.96 28.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.546 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.542 ' N ' ' HE ' ' B' ' 349' ' ' ARG . 6.7 tp -126.08 128.28 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.576 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.596 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 1.3 mp0 -77.49 151.76 80.66 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -72.71 -16.11 26.74 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.892 2.394 . . . . 0.0 112.083 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 28.9 t -64.98 -37.07 86.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.448 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . 0.663 HG12 ' O ' ' B' ' 378' ' ' VAL . 24.9 t -92.03 23.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.71 ' O ' ' N ' ' B' ' 381' ' ' ARG . 61.9 mt -125.95 -21.71 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' B' ' 185' ' ' GLY . 2.3 t-160 23.29 -82.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' B' ' 379' ' ' LEU . 9.3 ptp180 -144.28 25.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -65.86 173.48 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.547 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 70.9 p -82.79 127.18 33.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.564 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 4.4 tt -124.68 148.37 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.75 103.26 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 9.3 p -92.21 147.06 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.551 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.649 ' O ' ' N ' ' B' ' 391' ' ' GLY . 66.7 t0 -135.04 76.69 1.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -48.06 -42.56 23.67 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -49.58 -47.21 49.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.481 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' B' ' 390' ' ' ARG . 9.8 tpp180 -105.37 -0.19 26.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.649 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 51.98 44.02 55.89 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -112.01 150.12 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.454 ' C ' HD12 ' B' ' 394' ' ' LEU . 3.0 tt -126.49 118.99 26.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.473 HD23 ' HG3' ' B' ' 397' ' ' PRO . 11.1 mp -106.51 150.88 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.586 ' O ' ' C ' ' B' ' 396' ' ' ASP . 58.9 t -122.31 101.99 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.586 ' C ' ' O ' ' B' ' 395' ' ' VAL . 39.0 t70 24.44 59.82 0.39 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.564 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.473 ' HG3' HD23 ' B' ' 394' ' ' LEU . 46.8 Cg_endo . . . . . 0 C--N 1.306 -1.661 0 C-N-CA 122.879 2.386 . . . . 0.0 112.077 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.6 p -83.05 159.04 22.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 3' ' ' VAL . 2.6 p -132.98 119.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.463 ' HD2' HH12 ' A' ' 37' ' ' ARG . 4.9 pttp -127.41 172.4 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.492 ' O ' HG22 ' A' ' 65' ' ' VAL . 59.7 tt0 -161.46 134.04 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.481 ' OG1' ' NE2' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -79.21 128.91 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -129.64 124.03 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.29 127.35 32.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.541 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mm -90.6 105.79 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.667 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.7 p -83.14 57.16 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.473 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 11' ' ' ASN . 6.8 t-20 61.18 26.84 16.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.503 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 8.5 ttpt -167.33 98.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.976 HD22 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.36 -5.26 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.684 ' O ' ' SD ' ' A' ' 15' ' ' MET . . . 153.8 -67.53 0.31 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.684 ' SD ' ' O ' ' A' ' 14' ' ' GLY . 0.5 OUTLIER -152.75 -163.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.704 0.288 . . . . 0.0 110.501 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.705 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 31.1 m80 -43.61 -38.51 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.483 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.878 ' HB3' HH11 ' A' ' 18' ' ' ARG . . . 159.97 5.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.909 ' N ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -53.98 -47.19 97.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.654 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.6 Cg_exo -47.36 -55.75 3.66 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.793 2.328 . . . . 0.0 112.07 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.22 -47.74 82.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.496 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.525 ' SD ' ' O ' ' B' ' 240' ' ' ALA . 41.7 mtm -65.84 -41.64 91.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.474 ' NZ ' ' HB3' ' A' ' 18' ' ' ARG . 48.6 mttp -62.51 -37.63 86.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -50.04 -45.64 52.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.605 ' CE2' ' NE2' ' B' ' 247' ' ' HIS . 2.6 m-85 -55.9 -40.82 73.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -72.0 -35.92 69.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.471 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 22' ' ' LYS . 9.5 mp -66.94 -42.72 84.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 ttp -55.85 -31.42 62.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -83.56 -29.74 27.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.69 -31.75 29.06 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -106.91 153.73 22.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.669 0.271 . . . . 0.0 110.638 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.594 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 59.0 t0 -96.12 95.17 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 167.95 156.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.58 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -101.83 128.25 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.5 t -105.7 134.64 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mp -136.08 137.74 41.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.0 tt -106.84 151.6 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.689 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.463 HH12 ' HD2' ' A' ' 4' ' ' LYS . 54.5 mtm180 -147.92 134.08 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -91.8 155.58 18.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.456 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -52.49 -28.28 19.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.62 -11.46 58.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.76 11.53 59.01 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -84.25 117.48 23.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.352 . . . . 0.0 110.492 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.08 103.19 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.617 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.637 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.18 64.79 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -40.34 121.33 1.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -9.61 12.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 85.1 m-20 -99.77 27.41 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.58 124.18 12.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.27 -35.46 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.9 tt -61.81 -36.5 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.637 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.21 -41.79 89.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.547 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.29 -38.39 80.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.326 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -65.72 -34.0 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.537 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 1.227 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -70.71 -35.03 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' A' ' 36' ' ' LEU . 51.2 tp -64.51 -34.98 79.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' OD2' ' OD2' ' B' ' 288' ' ' ASP . 5.4 m-20 -53.45 -35.0 60.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -75.99 -7.07 53.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.633 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.06 29.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -69.31 97.3 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.11 6.93 38.92 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.03 164.51 12.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.606 ' NE2' ' O ' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -97.53 142.37 29.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -130.39 161.06 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.639 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.611 ' N ' HG12 ' A' ' 63' ' ' ILE . 17.2 mp0 -123.32 101.44 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.555 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 5' ' ' GLN . 7.9 m -81.37 128.16 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -120.67 138.58 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 3' ' ' VAL . . . -137.52 131.04 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.46 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 9.3 t -123.95 129.43 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.472 ' O ' ' HG2' ' A' ' 72' ' ' GLU . . . 142.19 162.32 9.16 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.83 -45.11 25.3 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.857 2.372 . . . . 0.0 112.059 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 72' ' ' GLU . 34.0 mt-30 -94.3 7.2 46.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.507 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 19.5 pt-20 -38.44 -36.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 14.5 pt-20 -64.3 -49.2 72.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 33.9 tp10 -57.24 -51.95 67.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.655 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.032 ' O ' HG13 ' A' ' 79' ' ' VAL . . . -55.2 -49.26 72.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.957 ' O ' HG22 ' A' ' 79' ' ' VAL . 0.8 OUTLIER -64.83 -44.03 91.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.501 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.83 99.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.97 97.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.45 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.032 HG13 ' O ' ' A' ' 75' ' ' ALA . 2.5 m -66.38 -42.67 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.434 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -64.53 -41.85 93.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.525 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.72 -35.64 81.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.466 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.7 mt -73.85 -38.12 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 13' ' ' LEU . 12.7 m-30 -69.47 -31.6 69.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.564 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.437 ' O ' ' CB ' ' A' ' 85' ' ' SER . 8.8 m120 -82.37 -4.83 58.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.1 t . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . 0.466 ' HB3' HH21 ' B' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . 0.687 HD12 HD11 ' B' ' 393' ' ' LEU . 59.6 mt -131.59 130.02 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.79 ' HE ' ' N ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -80.72 113.51 18.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.844 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -116.84 159.07 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 370' ' ' MET . 58.3 mt -74.53 118.55 70.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.496 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . 0.404 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 52.7 Cg_endo -73.25 106.12 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.746 2.297 . . . . 0.0 112.131 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . 1.091 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -83.86 -36.68 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . 0.536 ' HB3' ' H ' ' B' ' 368' ' ' THR . . . -135.84 133.31 19.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.416 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.04 143.27 40.09 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.787 2.325 . . . . 0.0 112.067 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 134.98 161.93 9.59 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.8 p -129.93 148.21 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 0.0 110.523 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -156.64 155.04 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.518 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . 0.462 ' O ' ' NH2' ' B' ' 322' ' ' ARG . 4.3 tt -124.89 128.29 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -173.49 175.18 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' B' ' 382' ' ' ARG . 93.3 mt-10 -85.3 163.74 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -104.78 126.59 8.76 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . 0.605 ' C ' ' CD1' ' B' ' 186' ' ' TRP . 0.0 OUTLIER -110.1 159.5 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.719 0.295 . . . . 0.0 110.587 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.572 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 53.3 p . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.751 0.31 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 0.454 ' HG ' ' H ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -71.81 141.29 49.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.436 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 3.4 m-20 -159.31 60.68 1.63 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.617 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.564 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 52.7 Cg_exo -47.6 -30.67 12.71 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.865 2.377 . . . . 0.0 112.122 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -78.49 -52.28 8.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.456 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 1.9 tp -74.77 -29.76 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.546 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.455 ' HA ' ' OE1' ' B' ' 208' ' ' GLU . 52.9 mm-40 -78.54 -55.97 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . 0.564 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 0.2 OUTLIER -50.94 -53.23 34.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.503 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' B' ' 211' ' ' ARG . 14.8 pt-20 -64.55 -39.15 93.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.501 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.605 ' NH2' ' OE2' ' B' ' 269' ' ' GLU . 14.6 ttt-85 -56.87 -43.23 81.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.471 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.421 HD11 HD12 ' B' ' 258' ' ' LEU . 30.6 mt -66.96 -57.3 7.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . 0.549 ' O ' ' OE2' ' B' ' 217' ' ' GLU . 77.6 p -49.76 -51.14 41.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -59.02 -36.67 89.45 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.68 -45.34 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.424 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.666 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.6 OUTLIER -56.46 -52.59 64.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.437 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.549 ' OE2' ' O ' ' B' ' 213' ' ' THR . 1.0 OUTLIER -53.6 -30.91 44.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.457 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -75.76 -36.37 59.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.445 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -93.14 -48.93 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -54.94 -49.03 72.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.512 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.601 ' C ' ' HE ' ' B' ' 225' ' ' ARG . 89.9 m-20 -63.78 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.46 ' O ' ' CD1' ' B' ' 226' ' ' TYR . 34.3 tt0 -62.78 -46.62 87.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.499 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -68.35 -43.34 77.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . 0.433 HH21 ' HD3' ' B' ' 224' ' ' ARG . 12.2 ttp180 -63.97 -49.14 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.453 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . 0.601 ' HE ' ' C ' ' B' ' 221' ' ' ASN . 90.1 mtm180 -66.23 -30.02 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 1.3 m-85 -59.62 -44.24 93.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.562 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 69.4 m -48.96 -40.49 30.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -61.56 -23.95 66.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -76.29 -46.68 26.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.842 ' CE2' ' HB2' ' B' ' 239' ' ' ALA . 0.0 OUTLIER -51.23 -39.45 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -40.34 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -66.02 -39.54 90.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.588 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -86.56 -125.59 1.87 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -165.19 41.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.519 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.583 ' OE1' ' HB3' ' B' ' 363' ' ' ALA . 0.0 OUTLIER -111.59 89.74 3.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.621 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -62.47 -20.12 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.514 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -62.23 -45.61 92.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.516 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.413 ' CG2' ' SD ' ' B' ' 360' ' ' MET . 28.6 p -62.0 -54.57 39.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . 0.842 ' HB2' ' CE2' ' B' ' 230' ' ' PHE . . . -58.27 -46.15 86.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . 0.525 ' O ' ' SD ' ' A' ' 21' ' ' MET . . . -61.37 -45.31 94.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.479 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.85 -52.96 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.523 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' B' ' 245' ' ' TYR . 10.9 m-30 -56.82 -57.07 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.584 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' B' ' 242' ' ' PHE . 4.5 t70 -33.66 -46.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 0.827 HD23 ' O ' ' B' ' 244' ' ' LEU . 1.8 tt -77.65 -39.46 45.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' B' ' 242' ' ' PHE . 8.5 t80 -55.0 -53.31 57.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 83.6 p -52.83 -50.17 64.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.605 ' NE2' ' CE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -67.33 -32.23 73.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.507 ' HG ' HD12 ' B' ' 249' ' ' LEU . 7.4 tp -65.68 -46.34 79.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.577 ' O ' ' NH2' ' B' ' 255' ' ' ARG . 8.7 mp -70.66 -43.32 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.617 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 89.3 p -78.65 -7.49 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.473 ' OD1' ' CZ ' ' B' ' 253' ' ' ARG . 42.0 t0 -46.67 115.94 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . 0.622 ' OG1' ' NH1' ' B' ' 253' ' ' ARG . 9.7 p -52.27 -12.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.669 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.622 ' NH1' ' OG1' ' B' ' 252' ' ' THR . 0.1 OUTLIER -74.95 -52.58 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.471 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . 0.709 HD23 HH22 ' B' ' 255' ' ' ARG . 5.8 tp -59.97 -37.61 80.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.574 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.709 HH22 HD23 ' B' ' 254' ' ' LEU . 0.0 OUTLIER -60.72 -45.94 92.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' B' ' 260' ' ' ALA . 0.0 OUTLIER -50.17 -41.09 48.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.585 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.425 ' OE2' ' CZ ' ' B' ' 279' ' ' PHE . 51.9 mt-10 -61.77 -45.07 95.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.58 HD22 HG11 ' B' ' 275' ' ' VAL . 0.4 OUTLIER -58.78 -64.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.557 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . 0.463 ' CE2' ' OD2' ' B' ' 263' ' ' ASP . 60.2 t80 -55.78 -36.66 67.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.597 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' B' ' 256' ' ' ARG . . . -62.08 -41.05 97.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.544 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -70.4 -42.59 71.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.592 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.55 -38.12 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . 0.463 ' OD2' ' CE2' ' B' ' 259' ' ' PHE . 89.9 m-20 -59.48 -17.35 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.66 -20.8 23.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 119.92 22.48 3.25 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.5 m -98.28 155.97 16.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.781 0.325 . . . . 0.0 110.551 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . 0.495 HG12 ' HG2' ' B' ' 269' ' ' GLU . 3.4 t -98.6 148.61 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.672 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -52.56 -52.1 56.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.55 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.605 ' OE2' ' NH2' ' B' ' 211' ' ' ARG . 0.9 OUTLIER -38.12 -59.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . 0.41 ' O ' ' HB3' ' B' ' 273' ' ' LYS . 0.7 OUTLIER -80.93 -35.56 32.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -52.21 -52.63 51.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.723 ' O ' HG12 ' B' ' 276' ' ' ILE . 18.3 m -70.7 -14.91 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 62.9 tttp -78.86 -33.55 45.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 278' ' ' LYS . 1.5 m -77.05 -57.94 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.576 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.855 HG23 ' N ' ' B' ' 276' ' ' ILE . 10.7 m -45.24 -60.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.855 ' N ' HG23 ' B' ' 275' ' ' VAL . 2.1 pp -56.14 -41.04 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 42.1 tp10 -67.27 -38.91 85.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' B' ' 274' ' ' THR . 35.4 ttpt -72.42 -31.61 65.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.65 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . 0.425 ' CZ ' ' OE2' ' B' ' 257' ' ' GLU . 2.3 m-85 -78.69 -29.03 45.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' B' ' 284' ' ' ALA . . . -74.88 -23.25 58.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.643 ' O ' ' HB2' ' B' ' 285' ' ' ALA . 1.2 mp0 -85.64 -53.37 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.654 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . 0.4 ' O ' HD23 ' B' ' 286' ' ' LEU . 11.9 tm0? -59.96 -41.58 92.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 5.1 m-30 -71.25 -48.6 50.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.597 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 280' ' ' ALA . . . -78.29 7.6 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.684 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' B' ' 281' ' ' GLU . . . -97.47 -3.18 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.741 ' HG ' HD11 ' A' ' 53' ' ' LEU . 3.8 mm? -87.8 -168.74 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.616 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 55.4 m -116.26 -18.23 10.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.586 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 9.9 t0 -60.43 121.21 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -40.04 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -50.04 -41.2 47.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 1.08 HD13 ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.04 -53.61 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.476 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' B' ' 288' ' ' ASP . 19.1 ttmm -37.13 -54.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' B' ' 294' ' ' ARG . 0.3 OUTLIER -63.69 -38.49 91.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.427 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.55 ' N ' ' HG3' ' B' ' 293' ' ' GLU . 20.1 ttm180 -57.76 -31.19 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -42.1 -46.11 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -44.85 -39.94 6.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -67.19 -41.18 86.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.396 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.33 -53.74 53.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.226 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' B' ' 300' ' ' ALA . 0.0 OUTLIER -52.74 -36.78 58.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.148 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.473 ' N ' ' HG2' ' B' ' 299' ' ' ARG . . . -65.07 -37.51 87.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.264 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.806 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.1 OUTLIER -48.5 -41.62 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.266 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -63.53 -40.3 98.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -63.84 -40.66 97.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 110.218 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.402 ' HD3' HH21 ' B' ' 304' ' ' ARG . 6.9 mmm-85 -69.85 -41.07 75.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.204 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . 0.609 ' O ' HD12 ' B' ' 309' ' ' LEU . 1.0 OUTLIER -64.35 -39.53 94.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.28 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 306' ' ' LEU . 2.5 mm? -67.67 -39.84 84.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.4 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -69.36 -43.37 73.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.436 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -74.09 -21.2 60.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.404 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.609 HD12 ' O ' ' B' ' 305' ' ' LEU . 2.2 mt -72.78 -15.72 61.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.431 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -97.35 111.34 23.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' B' ' 182' ' ' ILE . 36.6 mtm105 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.805 0.336 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -155.65 159.04 39.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.501 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 47.8 mm -107.63 144.12 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.46 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.609 HD22 HD21 ' B' ' 335' ' ' LEU . 5.0 tp -83.54 110.78 18.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.711 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 3.3 t -110.12 97.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.66 150.45 48.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.537 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -70.49 -28.83 65.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -134.2 131.34 38.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.489 HD22 ' HB1' ' B' ' 357' ' ' ALA . 0.5 OUTLIER -83.55 126.68 33.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.474 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 1.8 t -136.28 121.69 19.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.33 -41.69 85.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' B' ' 336' ' ' ALA . 0.6 OUTLIER -56.61 -40.92 76.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.561 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 94.5 m -60.58 -45.7 92.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.609 HD21 HD22 ' B' ' 325' ' ' LEU . 92.9 mt -57.51 -29.28 64.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.522 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' B' ' 333' ' ' THR . . . -62.09 8.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.599 ' H ' ' C ' ' B' ' 335' ' ' LEU . 42.4 mm-40 -99.74 -39.64 8.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.683 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 14.9 mt -110.16 149.68 40.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.595 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.88 149.57 47.8 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.745 2.297 . . . . 0.0 112.098 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -69.49 -7.99 43.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.31 -37.3 63.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -89.13 -15.66 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 9.9 mt -84.65 100.55 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.491 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.39 33.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.711 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 146.42 158.27 7.69 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.723 HG23 HG23 ' B' ' 368' ' ' THR . 11.0 m -146.42 151.55 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . 0.417 HG13 HG12 ' B' ' 369' ' ' VAL . 95.3 t -140.74 137.23 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 8.8 p -137.12 152.79 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.636 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . 0.455 ' CG ' ' N ' ' B' ' 350' ' ' ASP . 2.7 ptm180 -98.56 -37.33 9.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.455 ' N ' ' CG ' ' B' ' 349' ' ' ARG . 33.5 t70 -134.48 77.71 1.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -126.97 137.38 9.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -71.72 148.18 46.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.814 0.34 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.58 -6.39 59.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -108.08 -13.77 14.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.595 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 10.8 p -46.13 146.03 1.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.5 -20.01 64.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . 0.489 ' HB1' HD22 ' B' ' 330' ' ' LEU . . . -85.18 -42.49 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -65.88 -39.82 91.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 14.0 tt -77.47 -22.0 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.621 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . 0.413 ' SD ' ' CG2' ' B' ' 238' ' ' THR . 9.0 ttt -77.3 -43.39 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.98 ' O ' HG22 ' B' ' 366' ' ' ILE . 17.3 m -65.79 -35.27 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.524 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' B' ' 176' ' ' ALA . 37.2 ttp180 -77.46 -33.07 54.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.655 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.583 ' HB3' ' OE1' ' B' ' 235' ' ' GLN . . . -67.62 -45.41 75.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.483 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . 0.96 HD21 ' HA ' ' B' ' 361' ' ' VAL . 2.9 pp -66.59 -29.19 69.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.672 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . 0.664 ' N ' HD12 ' B' ' 364' ' ' LEU . . . 97.71 72.07 1.07 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . 0.98 HG22 ' O ' ' B' ' 361' ' ' VAL . 2.4 tp -143.05 125.78 8.93 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.949 0.404 . . . . 0.0 110.532 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -47.85 116.77 2.06 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.777 2.318 . . . . 0.0 112.243 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . 0.723 HG23 HG23 ' B' ' 346' ' ' VAL . 43.2 m -128.94 141.1 51.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . 0.417 HG12 HG13 ' B' ' 347' ' ' VAL . 1.0 OUTLIER -136.45 139.88 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.537 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 1.091 ' SD ' ' HB2' ' B' ' 176' ' ' ALA . 0.0 OUTLIER -126.49 156.48 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 108.81 -10.11 34.7 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' B' ' 349' ' ' ARG . . . -55.17 108.46 0.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.81 0.338 . . . . 0.0 110.489 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 30.47 4.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' B' ' 374' ' ' ILE . 8.6 tp -105.83 133.01 51.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.651 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.759 ' O ' HG22 ' B' ' 378' ' ' VAL . 23.0 mp0 -64.15 130.62 94.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.593 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.57 -21.71 21.92 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.882 2.388 . . . . 0.0 112.205 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 40.0 t -56.95 -31.67 65.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.586 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . 0.759 HG22 ' O ' ' B' ' 375' ' ' GLN . 10.4 m -85.1 -28.63 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.848 ' O ' ' N ' ' B' ' 381' ' ' ARG . 1.4 mp -72.39 -22.36 61.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 1.013 ' CD2' ' H ' ' B' ' 381' ' ' ARG . 42.6 p-80 24.75 -76.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 1.013 ' H ' ' CD2' ' B' ' 380' ' ' HIS . 0.2 OUTLIER -149.7 28.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . 0.428 ' HG2' ' NE2' ' B' ' 380' ' ' HIS . 0.0 OUTLIER -70.77 169.1 15.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.558 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 91.8 m -78.29 132.07 37.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.625 HD12 ' O ' ' B' ' 394' ' ' LEU . 11.3 tp -136.47 115.62 12.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . 0.482 ' N ' HD12 ' B' ' 385' ' ' ILE . 1.7 mp -99.61 109.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.612 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 31.4 m -96.5 147.59 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.662 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.3 t0 -137.51 81.22 1.85 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -46.96 -47.18 19.86 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -46.48 53.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.533 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -9.56 30.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 55.42 49.84 62.67 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' B' ' 393' ' ' LEU . 85.5 tt0 -132.16 158.41 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 110.639 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.848 ' O ' HD12 ' B' ' 393' ' ' LEU . 3.9 pp -136.14 121.87 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.525 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.642 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 3.3 mm? -95.78 154.58 17.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.629 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.806 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 14.6 p -120.66 105.63 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.599 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.61 ' OD1' ' O ' ' B' ' 395' ' ' VAL . 44.1 p-10 21.22 50.81 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.806 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.4 Cg_endo . . . . . 0 C--N 1.304 -1.8 0 C-N-CA 122.791 2.328 . . . . 0.0 112.092 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -83.01 159.33 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.486 ' O ' HD12 ' A' ' 76' ' ' LEU . 97.4 t -133.39 117.73 28.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HB2' ' OE1' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -124.81 172.51 9.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.604 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -161.72 132.7 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.548 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 6' ' ' THR . 12.5 t -78.43 129.31 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.665 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -130.5 123.36 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.595 ' O ' ' CD ' ' A' ' 8' ' ' GLU . 3.2 pp20? -80.26 127.28 32.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.49 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mm -90.23 105.67 16.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.573 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.1 OUTLIER -83.6 58.94 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.0 m120 61.28 23.89 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -164.79 101.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.556 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.9 pp -64.11 -7.87 10.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.76 -87.45 0.11 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -117.06 -50.24 2.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.734 0.302 . . . . 0.0 110.532 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.411 ' ND1' ' CZ ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER 174.68 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 1.012 ' HB3' HH11 ' A' ' 18' ' ' ARG . . . -169.51 -13.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.567 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 1.012 HH11 ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -57.12 -54.19 57.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.791 ' O ' HD13 ' A' ' 23' ' ' LEU . 51.0 Cg_exo -48.1 -51.5 9.9 Favored 'Trans proline' 0 C--N 1.303 -1.822 0 C-N-CA 122.733 2.288 . . . . 0.0 112.174 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.09 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -40.44 80.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.458 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.489 ' O ' HD13 ' A' ' 26' ' ' LEU . 45.1 mttp -63.73 -37.32 86.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.791 HD13 ' O ' ' A' ' 19' ' ' PRO . 4.9 mp -50.31 -43.91 53.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -38.67 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.38 -34.65 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.852 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 5.3 mp -68.23 -40.24 82.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.813 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 66.2 ttp -58.8 -28.86 66.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -86.6 -27.67 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.19 -24.5 36.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.852 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.5 p90 -119.66 138.25 53.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.752 0.311 . . . . 0.0 110.635 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.741 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 66.6 t0 -80.33 109.15 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.625 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.847 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.99 148.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -98.21 128.32 44.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.742 ' C ' HD12 ' A' ' 35' ' ' LEU . 8.8 p -106.21 133.06 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.742 HD12 ' C ' ' A' ' 34' ' ' VAL . 7.0 mp -134.2 139.15 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.628 HD23 ' C ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -109.19 150.24 28.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.41 136.45 23.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.625 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.664 ' ND2' ' SD ' ' A' ' 54' ' ' MET . 20.2 m-80 -93.78 153.56 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.57 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 45.8 p-10 -50.65 -27.97 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 93.8 mt-10 -68.06 -11.72 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.625 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.3 11.06 58.87 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.9 p -84.12 117.44 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.658 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 3.0 tm-20 -78.18 103.39 8.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.647 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.32 65.66 7.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.626 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 2.8 mt-10 -41.18 120.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.9 -9.22 8.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -100.4 27.72 5.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.85 122.88 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.594 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.829 ' O ' HD12 ' A' ' 53' ' ' LEU . 6.6 p -62.86 -35.41 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 51' ' ' ALA . 20.6 pt -61.47 -37.83 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.621 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.647 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -64.8 -42.37 95.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.13 -39.05 77.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.829 HD12 ' O ' ' A' ' 49' ' ' VAL . 1.1 mp -65.03 -36.63 85.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.586 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.664 ' SD ' ' ND2' ' A' ' 38' ' ' ASN . 4.9 tmm? -68.29 -36.12 78.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.5 tt -63.41 -35.83 81.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.585 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD2' ' CG ' ' B' ' 291' ' ' LEU . 85.6 m-20 -53.15 -34.79 58.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -76.36 -6.37 51.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.46 29.28 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -69.4 97.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.57 5.25 39.61 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -105.95 165.15 11.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.316 . . . . 0.0 110.652 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.4 143.43 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.499 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 63' ' ' ILE . 8.1 pt -130.92 161.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.631 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -123.69 100.85 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.4 t -80.92 128.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -120.54 139.06 53.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.9 130.82 30.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.664 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 t -124.02 129.08 50.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.477 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.42 161.38 8.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -46.9 -45.39 20.83 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.908 2.405 . . . . 0.0 112.071 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 74' ' ' GLU . 50.5 mt-30 -93.97 6.95 46.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 14.5 pt-20 -37.87 -37.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -49.15 73.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.512 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 71' ' ' GLN . 15.8 tm-20 -56.94 -51.9 67.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.641 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.701 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.41 -49.27 72.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -64.79 -43.91 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.618 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.15 99.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.558 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.28 99.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.577 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 75' ' ' ALA . 47.0 t -67.02 -41.87 87.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.5 mm -65.17 -41.09 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.608 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.67 81.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.4 mt -73.58 -38.97 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.733 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.13 -22.92 61.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -90.51 -3.77 57.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.087 -0.958 . . . . 0.0 110.65 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 16.6 mm -102.04 131.6 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.73 109.45 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.505 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.607 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -109.45 160.68 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' B' ' 370' ' ' MET . 11.8 mt -79.2 115.59 53.95 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.25 110.51 2.97 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.817 2.345 . . . . 0.0 112.158 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -91.91 -25.57 18.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.29 103.21 3.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.52 155.12 1.44 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.779 2.319 . . . . 0.0 112.202 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 125.82 164.08 11.72 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 32.7 m -106.68 156.3 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' B' ' 386' ' ' VAL . . . -150.04 122.13 8.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.471 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 5.1 pt -122.14 117.49 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.473 ' HB3' HG23 ' B' ' 324' ' ' ILE . . . -179.41 179.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . 0.617 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 7.8 mp0 -85.91 169.11 13.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.59 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.589 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -94.43 144.93 17.44 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . 0.515 ' CH2' ' NH1' ' B' ' 381' ' ' ARG . 37.9 t-105 -134.96 118.25 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . 0.475 ' O ' ' NE2' ' B' ' 187' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . 0.786 ' C ' HD13 ' B' ' 203' ' ' LEU . 3.7 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.321 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 1.055 HD13 ' N ' ' B' ' 203' ' ' LEU . 0.0 OUTLIER -91.62 147.3 23.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.733 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -158.16 93.42 2.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -70.5 -12.06 30.88 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.782 2.321 . . . . 0.0 112.13 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -98.41 -43.42 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.533 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' B' ' 211' ' ' ARG . 2.9 tp -85.9 -31.9 21.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.463 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.733 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 81.9 mm-40 -73.07 -59.06 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 30.1 mtp-105 -53.38 -47.91 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.448 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -65.28 -40.56 94.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.447 HH12 ' CD ' ' B' ' 269' ' ' GLU . 8.9 mtp-105 -55.65 -41.24 73.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.471 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.824 HD13 ' C ' ' B' ' 212' ' ' LEU . 3.3 tm? -67.4 -52.62 37.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 96.0 m -52.42 -48.26 65.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.59 -36.44 85.38 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -70.21 -43.8 69.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.698 0.285 . . . . 0.0 110.54 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.989 HD23 ' N ' ' B' ' 217' ' ' GLU . 0.0 OUTLIER -57.92 -46.25 85.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.989 ' N ' HD23 ' B' ' 216' ' ' LEU . 13.8 tm-20 -61.26 -29.22 69.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.44 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -84.74 -28.2 26.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -90.4 -49.21 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.9 -47.25 80.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.678 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.496 ' ND2' ' HG2' ' B' ' 217' ' ' GLU . 88.8 m-20 -68.56 -30.15 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.689 ' O ' ' CD1' ' B' ' 226' ' ' TYR . 3.7 tm-20 -74.86 -35.64 62.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.497 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -81.55 -47.07 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . 0.411 HH21 ' HD2' ' B' ' 224' ' ' ARG . 30.7 ttm105 -59.99 -48.63 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -68.16 -38.84 82.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.689 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 2.7 m-85 -58.31 -54.08 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.488 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . 0.484 ' OG ' ' HB2' ' B' ' 242' ' ' PHE . 45.5 m -56.52 -54.73 42.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.479 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -43.84 6.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -47.04 88.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.683 ' O ' ' N ' ' B' ' 234' ' ' ALA . 25.6 m-85 -60.4 -42.36 95.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -49.48 -38.32 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.78 -23.04 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.561 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -115.33 -58.25 0.35 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.683 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -66.17 -147.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.597 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.605 HE21 ' CD ' ' B' ' 237' ' ' GLU . 1.1 pm0 -125.16 -165.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.513 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' B' ' 240' ' ' ALA . 0.5 OUTLIER -59.55 -33.58 71.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.605 ' CD ' HE21 ' B' ' 235' ' ' GLN . 8.4 pt-20 -41.04 -46.77 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.663 ' O ' ' CG1' ' B' ' 241' ' ' ILE . 12.9 p -70.23 -48.64 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -65.04 -27.85 69.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 236' ' ' LYS . . . -67.68 -48.21 67.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.541 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.919 ' O ' ' HG ' ' B' ' 244' ' ' LEU . 6.5 pt -59.97 -60.29 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.756 ' H ' HG13 ' B' ' 241' ' ' ILE . 0.0 OUTLIER -46.17 -58.43 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.587 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.619 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 64.9 t0 -33.01 -55.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 1.03 HD12 ' N ' ' B' ' 245' ' ' TYR . 4.2 pp -79.34 -46.77 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 1.03 ' N ' HD12 ' B' ' 244' ' ' LEU . 0.1 OUTLIER -45.92 -56.78 5.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 2.0 p -55.6 -49.56 72.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.49 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.52 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 17.1 m-70 -67.84 -23.77 65.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.938 HD23 ' N ' ' B' ' 249' ' ' LEU . 0.4 OUTLIER -71.46 -50.49 31.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.534 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.938 ' N ' HD23 ' B' ' 248' ' ' LEU . 3.2 tm? -80.62 -40.81 25.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . 0.488 ' HG ' ' HA ' ' B' ' 247' ' ' HIS . 60.7 p -63.53 -23.27 67.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.941 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 12.6 p30 -49.49 131.42 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 71.4 p -68.82 3.17 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -75.37 -44.2 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . 0.41 ' HB3' HH11 ' B' ' 255' ' ' ARG . 1.0 OUTLIER -73.05 -50.58 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.551 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.907 ' HE ' ' N ' ' B' ' 255' ' ' ARG . 0.5 OUTLIER -48.05 -53.06 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -60.33 -44.03 95.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.674 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 19.9 mm-40 -54.1 -50.82 65.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.4 -59.25 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' B' ' 259' ' ' PHE . 2.0 m-85 -52.43 -33.88 46.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.68 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -58.7 -41.43 86.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.66 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.11 -41.59 85.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . 0.496 HG22 ' O ' ' B' ' 266' ' ' SER . 87.2 t -67.18 -33.28 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.519 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.65 -20.62 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.521 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -94.71 -18.96 20.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . 0.725 ' O ' HD12 ' B' ' 203' ' ' LEU . . . 123.76 19.51 2.75 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . 0.496 ' O ' HG22 ' B' ' 262' ' ' VAL . 75.1 m -90.94 155.57 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.478 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 202' ' ' THR . 57.8 t -97.86 146.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.624 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.489 ' CB ' ' OE1' ' B' ' 208' ' ' GLU . . . -50.98 -46.27 61.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.456 ' H ' HG12 ' B' ' 267' ' ' VAL . 1.4 mp0 -43.6 -58.74 2.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -40.59 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.492 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.452 ' O ' HG12 ' B' ' 275' ' ' VAL . . . -54.94 -44.35 74.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.476 ' O ' HG12 ' B' ' 276' ' ' ILE . 94.3 t -64.03 -35.1 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.537 ' HA ' HD11 ' B' ' 276' ' ' ILE . 73.3 tttt -80.7 -38.47 28.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 69.0 m -68.8 -53.45 21.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.656 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.793 HG13 ' N ' ' B' ' 276' ' ' ILE . 11.5 p -48.93 -56.99 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.793 ' N ' HG13 ' B' ' 275' ' ' VAL . 28.3 pt -57.49 -39.8 71.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.505 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 55.1 mm-40 -68.22 -36.32 79.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -70.13 -35.27 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . 0.843 ' O ' ' CD2' ' B' ' 283' ' ' PHE . 14.6 m-85 -83.37 -23.44 32.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . 0.82 ' O ' ' CB ' ' B' ' 284' ' ' ALA . . . -62.3 -47.35 84.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 14.9 mp0 -83.94 -21.5 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . 0.542 ' OE1' ' CD2' ' B' ' 279' ' ' PHE . 51.6 tt0 -58.04 -60.83 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.843 ' CD2' ' O ' ' B' ' 279' ' ' PHE . 30.0 p90 -86.15 -32.45 21.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . 0.82 ' CB ' ' O ' ' B' ' 280' ' ' ALA . . . -57.38 -14.8 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.74 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.12 177.6 8.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 83.8 p -102.58 -20.14 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.785 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 44.7 p-10 -52.15 96.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.514 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.89 -46.8 61.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.572 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . 0.411 ' CZ ' ' ND1' ' A' ' 16' ' ' HIS . 30.6 t80 -54.03 -21.99 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.554 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.527 HD12 ' HG ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -118.22 -48.02 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.785 ' CB ' ' O ' ' B' ' 288' ' ' ASP . 39.5 tttt -40.14 -39.89 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.463 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' B' ' 295' ' ' ALA . 8.6 mt-10 -53.25 -20.88 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.694 HH22 HD13 ' B' ' 244' ' ' LEU . 34.4 ttm-85 -38.67 -30.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -39.39 -53.81 1.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.443 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -50.74 -44.29 48.01 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.5 ' O ' ' OH ' ' B' ' 245' ' ' TYR . 3.2 m-20 -71.36 -44.89 64.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.48 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -54.93 40.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.331 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . 0.4 HH21 ' HD3' ' B' ' 299' ' ' ARG . 25.9 ttp-105 -53.74 -40.7 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.401 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.752 ' HB1' HG21 ' B' ' 333' ' ' THR . . . -61.58 -37.96 85.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.898 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.1 OUTLIER -56.27 -41.7 76.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.407 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . 0.622 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -59.89 -42.67 98.29 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . 0.424 HE21 ' N ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -59.43 -39.72 84.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.377 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.588 ' NH2' ' OE1' ' B' ' 337' ' ' GLU . 0.0 OUTLIER -66.04 -41.7 90.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.375 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . 0.604 HD23 HD12 ' B' ' 301' ' ' LEU . 3.6 mm? -69.17 -39.95 78.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.366 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . 0.582 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.1 OUTLIER -65.52 -40.69 93.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -69.48 -40.18 77.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.454 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 74.7 m-70 -73.51 -22.05 60.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.404 HD12 ' O ' ' B' ' 305' ' ' LEU . 3.9 mt -75.28 -13.5 60.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . 0.582 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 5.1 m-20 -123.02 108.35 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.812 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 7.4 ptm180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.724 0.297 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.812 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 83.6 m-85 -163.57 167.33 21.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.537 ' CD1' HG13 ' B' ' 326' ' ' VAL . 1.6 pp -102.07 156.97 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.475 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.571 ' HB3' HG13 ' B' ' 346' ' ' VAL . 4.6 tp -91.39 123.09 34.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.621 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.537 HG13 ' CD1' ' B' ' 324' ' ' ILE . 0.0 OUTLIER -122.78 90.92 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -122.2 155.24 36.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 41.8 p30 -73.2 -17.45 61.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.441 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 19.1 tp10 -149.98 133.05 16.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.533 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 4.4 mt -86.7 118.8 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 32.6 p -116.43 131.0 57.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.523 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.04 -38.79 62.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.558 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.752 HG21 ' HB1' ' B' ' 300' ' ' ALA . 90.9 m -58.2 -43.34 87.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 91.1 m -59.0 -52.43 65.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.722 ' C ' HD23 ' B' ' 335' ' ' LEU . 9.0 tt -49.65 -46.8 50.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -74.11 6.79 3.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.588 ' OE1' ' NH2' ' B' ' 304' ' ' ARG . 1.2 tt0 -104.17 -40.16 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.59 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 1.8 tp -106.0 118.42 55.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.69 136.42 21.55 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.851 2.367 . . . . 0.0 112.004 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.86 -31.85 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.635 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -46.47 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.428 ' N ' ' HD3' ' B' ' 342' ' ' ARG . 18.8 mmt180 -75.73 -18.17 59.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.814 HD11 ' O ' ' B' ' 345' ' ' GLY . 50.5 tp -90.87 106.04 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.475 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 11.3 m -109.46 14.68 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.633 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . 0.814 ' O ' HD11 ' B' ' 343' ' ' LEU . . . 176.98 155.48 13.68 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.571 HG13 ' HB3' ' B' ' 325' ' ' LEU . 1.3 t -143.65 137.39 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.56 126.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 9.8 p -125.88 149.5 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . 0.49 HH11 ' C ' ' B' ' 373' ' ' ASP . 57.1 mtp180 -88.18 -39.63 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.488 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.43 80.8 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.587 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -123.96 130.87 7.78 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . 0.591 ' HB3' ' OG ' ' B' ' 355' ' ' SER . . . -95.63 140.67 30.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.541 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.75 -27.5 65.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.555 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.63 -3.3 49.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . 0.591 ' OG ' ' HB3' ' B' ' 352' ' ' ALA . 58.9 m -73.55 143.33 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -60.35 -39.35 86.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.475 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.12 90.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.48 94.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.661 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.13 -38.84 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.625 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 55.5 mtt -64.22 -48.55 75.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.59 -43.86 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 12.7 ttp-105 -62.59 -46.18 89.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.63 -30.62 71.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.56 -32.38 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.22 32.62 9.47 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 4.6 mm -104.96 121.27 47.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.657 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.31 120.9 4.77 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.845 2.364 . . . . 0.0 112.147 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 84.9 m -149.42 148.53 29.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.6 151.34 26.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.607 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 0.6 OUTLIER -124.8 160.32 28.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.62 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.71 -0.74 58.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -54.42 110.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . 0.49 ' C ' HH11 ' B' ' 349' ' ' ARG . 60.2 m-20 -99.95 56.61 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.685 HD13 ' O ' ' B' ' 374' ' ' ILE . 0.1 OUTLIER -133.49 155.61 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -95.26 105.29 18.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . 0.54 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 51.8 Cg_exo -47.99 -28.09 9.84 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.822 2.348 . . . . 0.0 112.173 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 47.7 t -55.45 -49.09 73.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.624 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.7 -35.08 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.553 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.63 ' O ' ' N ' ' B' ' 381' ' ' ARG . 16.1 mt -83.8 -46.8 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.589 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.2 OUTLIER 52.18 -78.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.63 ' N ' ' O ' ' B' ' 379' ' ' LEU . 1.4 mpt_? -132.51 25.03 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -71.69 175.7 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.621 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 37.9 m -83.74 129.76 34.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.404 HD21 HD13 ' B' ' 379' ' ' LEU . 3.3 mp -122.26 145.71 47.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.632 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 82.9 mt -130.69 100.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.556 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' B' ' 181' ' ' ALA . 49.2 t -93.46 147.95 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.8 t0 -140.36 82.81 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.59 -45.88 30.1 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -47.67 -43.23 26.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.615 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' B' ' 391' ' ' GLY . 11.5 mmp_? -108.9 6.65 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.638 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 35.93 61.31 0.78 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . 0.515 ' HG2' ' N ' ' B' ' 393' ' ' LEU . 34.3 tt0 -135.01 160.77 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.53 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.549 HD23 ' C ' ' B' ' 393' ' ' LEU . 3.8 tt -127.74 109.64 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.462 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 18.4 mt -95.49 161.18 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.781 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 94.0 t -126.86 102.05 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.511 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.624 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.4 OUTLIER 18.84 52.4 0.1 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.594 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.781 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 40.6 Cg_endo . . . . . 0 C--N 1.306 -1.684 0 C-N-CA 122.817 2.345 . . . . 0.0 112.109 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.405 ' SD ' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.405 HG22 ' SD ' ' A' ' 1' ' ' MET . 5.0 t -84.15 158.87 21.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.492 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER -132.63 119.6 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.497 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -126.28 172.79 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.658 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -162.47 133.73 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 p -80.17 129.06 34.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.48 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 m -129.85 123.6 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 58.1 mp0 -79.62 127.01 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.635 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.476 HD12 HD23 ' A' ' 13' ' ' LEU . 19.2 mm -89.95 104.83 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 10' ' ' THR . 61.0 m -81.31 55.52 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.507 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.2 t30 61.99 25.82 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.504 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' A' ' 14' ' ' GLY . 12.8 tptt -164.4 94.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.582 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.476 HD23 HD12 ' A' ' 9' ' ' ILE . 15.9 mt -59.84 -0.08 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.432 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 1.045 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 73.77 27.49 66.93 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 1.362 ' HA ' ' CD ' ' A' ' 19' ' ' PRO . 1.7 ptp -133.35 -86.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.699 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.776 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 2.8 t60 67.92 5.25 4.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.475 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 140.84 39.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.523 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.774 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 3.6 mtp180 -160.01 -68.74 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.679 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 1.362 ' CD ' ' HA ' ' A' ' 15' ' ' MET . 50.2 Cg_exo -48.88 -62.32 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.945 2.43 . . . . 0.0 112.182 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 1.224 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -53.17 -44.69 68.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.7 tpt -69.03 -42.27 76.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 12.4 tptt -60.65 -39.24 87.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.599 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 23' ' ' LEU . 5.9 tt -48.33 -46.66 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -55.79 -40.92 73.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.5 -36.12 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.708 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.88 -42.18 85.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 49.4 ttm -55.73 -31.45 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -82.55 -34.2 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.68 -32.26 42.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -104.52 155.09 19.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 0.0 110.581 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.819 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -99.13 93.61 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.686 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 168.51 156.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.21 129.58 46.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.1 t -107.22 133.6 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 36' ' ' LEU . 72.5 mt -135.34 138.17 43.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.565 HD12 ' C ' ' A' ' 35' ' ' LEU . 11.1 mp -108.47 150.66 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -146.73 135.48 22.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.622 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -92.48 154.1 18.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -51.66 -26.55 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.63 -10.0 56.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.69 12.01 59.9 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.1 m -85.33 116.77 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.489 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 2.2 pm0 -77.98 103.49 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.637 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.6 65.41 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.546 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -40.55 121.14 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.563 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.69 -10.51 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.616 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.8 28.76 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.539 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -146.51 122.88 10.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 50' ' ' ILE . 4.8 m -62.93 -36.59 76.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.79 HD12 ' CE1' ' B' ' 283' ' ' PHE . 3.5 tt -61.23 -36.45 72.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.637 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.86 -42.96 89.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.224 HD21 ' CB ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -58.51 -38.1 76.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.116 ' O ' HD21 ' B' ' 291' ' ' LEU . 7.3 mp -64.84 -36.64 84.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.658 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 46.3 mtt -67.62 -38.75 84.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 92.8 mt -61.46 -35.47 77.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 5.4 m-20 -52.64 -34.35 50.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.56 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.0 p -77.85 -6.25 53.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.02 28.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.54 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 56' ' ' ASP . 4.5 mmtp -68.96 97.35 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.48 5.36 39.74 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.26 164.64 11.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.607 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -97.56 144.21 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.643 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.549 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -131.89 161.11 41.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.538 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.549 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.9 mt-10 -123.12 102.11 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 63' ' ' ILE . 4.2 t -82.02 127.5 39.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -119.65 141.06 49.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.52 129.52 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.677 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.737 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 9.9 t -120.31 141.47 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.577 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.04 -177.37 18.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.819 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 49.0 Cg_endo -72.4 -36.93 4.76 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.807 2.338 . . . . 0.0 112.155 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.513 ' NE2' ' HG3' ' A' ' 74' ' ' GLU . 23.5 mm100 -97.85 3.01 49.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.58 ' CD ' ' N ' ' A' ' 73' ' ' GLU . 1.5 pp20? -35.34 -42.72 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.599 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.58 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 16.1 tm-20 -58.45 -49.98 75.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.513 ' HG3' ' NE2' ' A' ' 71' ' ' GLN . 69.9 mm-40 -58.14 -50.93 71.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.532 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.79 -49.29 75.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.7 -44.07 91.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.44 99.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.98 98.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.32 -42.72 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.4 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 65.4 mt -64.59 -41.4 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.437 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.21 83.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.477 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.11 -37.51 66.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.65 -33.06 72.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.48 HD22 ' N ' ' A' ' 84' ' ' ASN . 1.4 m-80 -81.47 -5.21 57.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.65 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 18.4 ttp85 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 49.2 mt -114.36 134.75 56.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.15 109.6 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 1.047 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -114.08 153.47 29.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.584 ' N ' ' O ' ' B' ' 370' ' ' MET . 80.1 mt -66.37 112.63 9.75 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -72.76 110.74 3.08 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.9 2.4 . . . . 0.0 112.16 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . 0.524 ' O ' ' HD3' ' B' ' 362' ' ' ARG . . . -83.24 -38.48 22.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . 0.428 ' O ' ' HA3' ' B' ' 388' ' ' GLY . . . -133.45 131.83 21.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.14 144.4 42.03 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.779 2.32 . . . . 0.0 112.167 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 135.93 164.55 10.33 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.9 p -126.09 145.92 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 110.477 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . 0.485 ' HB1' HH11 ' B' ' 322' ' ' ARG . . . -152.32 150.74 30.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 2.1 pt -130.04 134.85 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.471 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 178.67 177.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' B' ' 381' ' ' ARG . 65.5 mm-40 -78.8 158.69 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -95.01 144.28 17.1 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -146.47 108.83 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.542 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.759 0.314 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 0.669 HD23 ' O ' ' B' ' 203' ' ' LEU . 0.5 OUTLIER -80.12 126.91 31.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.587 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -148.96 78.45 8.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.015 0.436 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -46.93 -17.55 0.42 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.917 2.411 . . . . 0.0 112.076 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -82.9 -55.63 4.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 4.9 mt -76.66 -38.66 54.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -63.66 -56.97 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . 0.522 ' O ' ' HG ' ' B' ' 212' ' ' LEU . 46.8 ttp180 -55.63 -41.75 73.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.482 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -72.4 -36.92 68.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.401 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.512 HH12 ' CD ' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -52.4 -53.73 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.363 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.695 ' HG ' ' H ' ' B' ' 213' ' ' THR . 2.3 pp -66.18 -45.65 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.383 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . 0.695 ' H ' ' HG ' ' B' ' 212' ' ' LEU . 57.1 m -58.93 -52.06 67.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.19 -35.52 88.1 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.28 -41.28 66.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.403 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.667 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.4 tp -56.4 -52.07 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.448 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.536 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 2.6 mm-40 -50.48 -34.05 23.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.362 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -81.58 -36.33 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.358 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . 0.495 ' HB2' ' ND1' ' B' ' 308' ' ' HIS . . . -83.49 -50.7 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.76 -46.59 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 94.4 m-20 -62.79 -31.64 72.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.355 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 3.6 tt0 -66.26 -42.04 89.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.444 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -66.19 -44.2 84.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -62.97 -42.58 99.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . 0.417 ' C ' ' NH2' ' B' ' 229' ' ' ARG . 73.4 mtm-85 -70.25 -33.49 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' B' ' 222' ' ' GLU . 2.0 m-85 -59.49 -59.2 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.73 -45.2 39.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.513 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -62.51 -38.94 91.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.432 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . 0.417 ' NH2' ' C ' ' B' ' 225' ' ' ARG . 0.0 OUTLIER -73.1 -42.65 62.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.713 ' O ' ' HB3' ' B' ' 234' ' ' ALA . 6.1 m-85 -66.94 -45.09 78.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.47 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.36 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.04 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -169.49 51.32 0.21 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' B' ' 230' ' ' PHE . . . -144.54 174.41 10.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 0.0 110.575 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.415 ' HG2' ' H ' ' B' ' 237' ' ' GLU . 61.3 tt0 -63.18 151.53 40.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -67.27 -41.77 84.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.509 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.415 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 2.3 tt0 -51.59 -50.57 59.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.477 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -54.27 -52.7 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -52.91 -42.89 65.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -67.25 -27.06 66.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.598 HG22 ' N ' ' B' ' 242' ' ' PHE . 0.9 OUTLIER -65.4 -53.14 43.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.598 ' N ' HG22 ' B' ' 241' ' ' ILE . 56.0 m-85 -61.59 -57.63 11.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -44.56 -48.12 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.469 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 0.58 HD23 HH11 ' B' ' 294' ' ' ARG . 17.3 tp -65.98 -37.78 86.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -71.0 -40.62 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.608 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 3.7 p -44.34 -45.84 9.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.545 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.53 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 7.4 t-80 -73.61 -27.44 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.685 HD23 ' C ' ' B' ' 248' ' ' LEU . 8.9 tt -67.45 -48.23 67.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.616 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.728 ' HG ' HD11 ' B' ' 301' ' ' LEU . 0.4 OUTLIER -70.4 -41.9 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.635 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 55.6 p -76.53 -12.72 60.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.613 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.871 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 19.9 p-10 -52.67 123.51 11.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' B' ' 256' ' ' ARG . 69.4 p -56.7 -1.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.564 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.705 ' HE ' ' N ' ' B' ' 254' ' ' LEU . 0.5 OUTLIER -80.64 -55.8 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.525 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . 0.763 HD23 ' O ' ' B' ' 254' ' ' LEU . 3.7 tt -65.42 -41.84 93.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 76.7 mtp180 -60.68 -44.91 95.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' B' ' 252' ' ' THR . 5.9 tmm_? -67.62 -39.69 84.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.591 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.26 -54.35 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.603 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.789 ' C ' HD12 ' B' ' 258' ' ' LEU . 0.6 OUTLIER -64.64 -42.05 95.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.606 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . 0.657 ' N ' ' HG ' ' B' ' 258' ' ' LEU . 39.4 t80 -62.94 -37.42 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.96 89.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . 0.441 ' C ' ' OG ' ' B' ' 266' ' ' SER . 1.6 mp0 -64.01 -39.51 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.0 -40.68 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.638 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -11.6 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -94.33 -19.5 20.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 126.09 11.3 3.92 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . 0.441 ' OG ' ' C ' ' B' ' 261' ' ' GLU . 51.8 p -93.01 162.91 13.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.362 . . . . 0.0 110.617 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.44 149.64 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.491 ' O ' HG23 ' B' ' 272' ' ' VAL . . . -56.71 -40.93 76.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.512 ' CD ' HH12 ' B' ' 211' ' ' ARG . 0.4 OUTLIER -49.25 -57.67 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -76.42 -44.39 36.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.947 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -53.1 -44.41 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.82 ' O ' HG23 ' B' ' 276' ' ' ILE . 70.4 t -68.52 -27.45 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.84 -29.98 24.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 85.4 m -77.39 -48.41 17.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.947 HG22 ' O ' ' B' ' 271' ' ' ALA . 31.4 m -65.11 -48.74 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.82 HG23 ' O ' ' B' ' 272' ' ' VAL . 2.3 pp -63.83 -21.77 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.565 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.53 -34.27 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.622 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' B' ' 282' ' ' GLN . 0.3 OUTLIER -72.65 -46.7 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' B' ' 280' ' ' ALA . 0.1 OUTLIER -74.73 -19.3 60.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' B' ' 276' ' ' ILE . . . -72.46 -38.09 68.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -87.07 -28.62 22.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.654 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' B' ' 278' ' ' LYS . 1.3 mm100 -58.29 -48.07 81.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.539 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.79 ' CE1' HD12 ' A' ' 50' ' ' ILE . 2.5 m-30 -66.74 -34.25 77.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -60.61 -37.1 80.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -39.32 -24.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.615 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' B' ' 284' ' ' ALA . 4.1 mm? -60.78 163.8 5.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . 0.451 ' O ' ' C ' ' B' ' 288' ' ' ASP . 15.4 m -100.33 -44.58 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.933 ' HB2' HD22 ' B' ' 291' ' ' LEU . 0.7 OUTLIER -35.69 134.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.676 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.26 -45.61 93.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.527 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . 0.501 ' O ' ' HG2' ' B' ' 293' ' ' GLU . 61.2 t80 -56.95 -27.67 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 1.116 HD21 ' O ' ' A' ' 53' ' ' LEU . 2.3 mp -81.31 -63.35 1.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.492 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -42.28 -42.3 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.466 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 290' ' ' TYR . 20.6 pt-20 -70.46 -36.0 73.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.58 HH11 HD23 ' B' ' 244' ' ' LEU . 1.9 tpt180 -57.65 -37.34 73.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.09 63.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.348 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -51.64 -44.94 54.66 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.92 -39.44 94.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.387 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.37 -47.95 83.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.338 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -50.64 -42.61 56.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.314 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.677 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -65.05 -36.01 82.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.294 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.728 HD11 ' HG ' ' B' ' 249' ' ' LEU . 9.8 tt -53.15 -44.87 68.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.429 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.17 -38.53 96.66 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -44.27 90.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.346 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 12.0 mtp85 -65.63 -39.16 91.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.383 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . 0.495 HD23 HG13 ' B' ' 272' ' ' VAL . 13.5 tp -68.13 -40.16 82.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.409 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.72 -38.49 91.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.43 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -44.38 93.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.405 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . 0.495 ' ND1' ' HB2' ' B' ' 219' ' ' ALA . 28.1 m170 -69.69 -23.8 63.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' B' ' 309' ' ' LEU . 2.1 tp -60.88 -14.17 20.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.455 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.26 117.41 26.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.644 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.485 HH11 ' HB1' ' B' ' 181' ' ' ALA . 21.9 ttt180 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.741 0.305 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 3.6 m-85 -159.32 162.68 36.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.471 HG13 ' HB3' ' B' ' 183' ' ' ALA . 87.1 mt -116.54 145.48 22.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 3.2 tp -91.97 130.15 37.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.618 HG22 ' CG1' ' B' ' 347' ' ' VAL . 39.9 t -133.62 94.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -130.77 152.11 50.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -63.84 -31.58 72.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.523 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -139.24 115.44 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.455 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -82.85 142.2 31.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.479 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 29.3 t -145.67 142.2 28.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.559 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.849 ' N ' ' HB2' ' B' ' 357' ' ' ALA . . . -52.58 -35.81 54.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.677 ' OG1' ' CB ' ' B' ' 300' ' ' ALA . 2.0 t -54.14 -40.24 67.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . 0.484 ' N ' ' CG2' ' B' ' 333' ' ' THR . 62.7 m -66.56 -52.13 48.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' B' ' 337' ' ' GLU . 65.0 tp -61.53 -43.04 99.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.12 2.16 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' B' ' 335' ' ' LEU . 32.0 tt0 -108.68 -32.72 7.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.548 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.51 126.13 30.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.613 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.73 141.73 15.39 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.755 2.303 . . . . 0.0 112.161 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . 0.558 ' CD ' ' H ' ' B' ' 340' ' ' GLN . 21.9 mp0 -73.33 -12.58 60.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -41.61 80.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.29 -24.17 26.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.466 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.5 HD21 ' CG2' ' B' ' 346' ' ' VAL . 6.7 tt -90.94 103.08 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.507 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.504 HG12 ' O ' ' B' ' 344' ' ' VAL . 7.3 t -123.12 27.06 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -178.43 145.27 6.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.5 ' CG2' HD21 ' B' ' 343' ' ' LEU . 58.8 t -141.89 143.07 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.592 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . 0.618 ' CG1' HG22 ' B' ' 326' ' ' VAL . 1.9 p -152.61 115.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.682 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.638 HG22 ' H ' ' B' ' 350' ' ' ASP . 8.6 p -110.94 157.57 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.528 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . 0.552 ' NH2' ' O ' ' B' ' 374' ' ' ILE . 70.1 mtp85 -74.56 -38.18 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.638 ' H ' HG22 ' B' ' 348' ' ' VAL . 0.1 OUTLIER 174.3 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 23.58 -102.97 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . 0.769 ' HB3' ' OG ' ' B' ' 355' ' ' SER . . . -118.25 130.2 55.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.529 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.38 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . 0.53 HD21 HD11 ' B' ' 359' ' ' ILE . 22.5 t-20 -132.48 96.01 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.553 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . 0.769 ' OG ' ' HB3' ' B' ' 352' ' ' ALA . 0.8 OUTLIER -115.9 158.78 22.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -53.69 -41.6 67.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.631 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . 0.849 ' HB2' ' N ' ' B' ' 332' ' ' ALA . . . -63.75 -43.74 95.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . 0.774 ' HB1' HH11 ' B' ' 362' ' ' ARG . . . -55.72 -48.44 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.53 HD11 HD21 ' B' ' 354' ' ' ASN . 73.7 mt -67.21 -34.8 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.561 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 2.7 mtm -67.32 -44.36 79.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 357' ' ' ALA . 46.4 t -63.61 -44.45 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.774 HH11 ' HB1' ' B' ' 358' ' ' ALA . 2.2 mtm180 -60.14 -44.2 95.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.92 -28.0 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.55 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' B' ' 364' ' ' LEU . 14.9 mt -68.49 -27.51 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.57 39.36 5.94 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 67.8 mt -121.75 122.13 27.94 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.895 0.379 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.68 134.84 22.09 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.836 2.357 . . . . 0.0 112.019 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 99.4 m -148.38 147.85 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.55 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.65 155.02 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 1.047 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 2.0 mtt -136.7 162.59 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.41 62.12 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -63.18 113.73 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -104.42 45.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.651 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 8.4 tp -115.32 142.17 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.666 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -75.06 107.43 3.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . 0.651 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 50.9 Cg_exo -48.51 -33.32 23.09 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.954 2.436 . . . . 0.0 112.086 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 88.4 p -47.48 -44.64 25.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 85.5 t -69.89 -32.38 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.506 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.603 ' O ' ' N ' ' B' ' 381' ' ' ARG . 7.6 mp -65.81 -33.08 75.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.4 OUTLIER 27.88 -89.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.603 ' N ' ' O ' ' B' ' 379' ' ' LEU . 96.9 mtt-85 -135.72 20.73 3.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.43 170.58 10.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . 0.597 ' OG1' ' HB3' ' B' ' 396' ' ' ASP . 0.0 OUTLIER -79.63 128.32 33.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 0.678 HD12 ' O ' ' B' ' 394' ' ' LEU . 23.9 tp -133.09 114.81 14.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . 0.492 HG23 ' O ' ' B' ' 385' ' ' ILE . 13.0 tt -107.12 120.75 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' B' ' 393' ' ' LEU . 22.4 m -108.31 150.06 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 391' ' ' GLY . 52.7 t0 -133.39 88.02 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -50.26 -44.39 43.77 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -39.38 -51.33 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 110.562 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . 0.414 HH21 ' CG ' ' B' ' 390' ' ' ARG . 0.0 OUTLIER -117.33 17.16 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.488 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 38.57 62.0 1.2 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -116.01 142.49 46.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.634 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.586 HD11 HD21 ' B' ' 384' ' ' LEU . 34.3 tp -120.87 124.58 45.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.506 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.678 ' O ' HD12 ' B' ' 384' ' ' LEU . 0.5 OUTLIER -121.25 150.43 41.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.729 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 1.119 ' O ' ' HD3' ' B' ' 397' ' ' PRO . 21.1 m -119.37 118.8 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.61 ' C ' ' O ' ' B' ' 395' ' ' VAL . 8.6 p-10 -21.58 68.73 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.579 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 1.119 ' HD3' ' O ' ' B' ' 395' ' ' VAL . 40.5 Cg_endo . . . . . 0 C--N 1.305 -1.744 0 C-N-CA 122.863 2.375 . . . . 0.0 112.084 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.4 p -83.31 158.2 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.3 t -132.14 117.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -124.56 172.72 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.567 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.567 ' O ' HG22 ' A' ' 65' ' ' VAL . 5.5 tt0 -162.39 132.74 4.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -78.45 129.92 35.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.714 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.638 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 27.9 m -130.87 123.8 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -80.64 126.45 31.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.8 mm -89.12 104.87 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.472 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.866 HG22 ' O ' ' A' ' 10' ' ' THR . 20.8 m -82.62 57.13 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 10' ' ' THR . 80.4 m-20 62.63 23.87 14.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -164.79 99.57 0.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -5.12 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 19' ' ' PRO . . . 120.28 138.03 5.53 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.648 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 4.2 tpp 41.46 -142.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.583 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 7.9 t-160 -128.26 76.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 73.28 -20.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 3.7 mpt_? -47.92 -50.67 52.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.594 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 15' ' ' MET . 50.1 Cg_exo -48.56 -51.56 10.07 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.832 2.355 . . . . 0.0 112.102 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.13 91.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 21' ' ' MET . 1.8 tmt? -66.06 -41.49 90.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -37.56 87.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.549 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.501 ' HA ' HD12 ' A' ' 23' ' ' LEU . 10.6 tp -49.37 -45.88 46.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.593 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CD1' ' CE1' ' B' ' 247' ' ' HIS . 0.3 OUTLIER -57.43 -39.06 75.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.622 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -74.36 -33.98 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.374 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.606 HD12 ' CE1' ' A' ' 30' ' ' PHE . 3.4 mm? -68.08 -42.53 80.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.594 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.446 ' HG2' HG22 ' A' ' 34' ' ' VAL . 53.6 mtp -56.04 -34.03 65.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -79.16 -33.35 44.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.587 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.87 -30.16 39.87 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CE1' HD12 ' A' ' 26' ' ' LEU . 18.3 m-30 -107.82 151.26 25.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.638 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 65.8 t0 -95.06 96.71 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 165.34 154.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.529 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -99.57 129.55 45.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.994 ' C ' HD22 ' A' ' 35' ' ' LEU . 35.5 m -106.99 132.21 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.496 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.994 HD22 ' C ' ' A' ' 34' ' ' VAL . 1.7 mm? -133.42 138.59 46.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.18 150.87 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.821 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.39 134.12 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.464 ' ND2' ' HB2' ' A' ' 58' ' ' ALA . 14.8 t-20 -90.4 156.94 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.461 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -53.4 -28.06 27.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -67.36 -11.17 57.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.67 11.5 59.17 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.9 p -84.34 117.21 23.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -78.13 102.97 7.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.558 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.654 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.07 65.54 7.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -40.91 121.17 1.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.624 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.42 -10.79 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -99.8 29.8 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.44 122.49 10.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.574 HG23 HD11 ' B' ' 248' ' ' LEU . 14.4 p -62.58 -36.01 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 51' ' ' ALA . 30.1 pt -61.15 -38.19 79.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.626 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.654 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -64.81 -42.57 94.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.625 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 52' ' ' LEU . 85.4 mt -58.35 -37.91 76.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.565 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' B' ' 283' ' ' PHE . 92.7 mt -65.66 -36.76 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.8 mtp -67.44 -37.55 83.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.622 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.7 tp -61.96 -36.42 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.25 -34.94 48.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.678 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.5 m -76.86 -6.06 50.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.696 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . . . -83.63 29.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.514 ' H ' ' HG2' ' A' ' 59' ' ' LYS . 1.8 ptmt -69.16 97.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.638 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.78 5.37 38.86 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.14 164.46 11.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -97.37 144.07 27.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.821 HG23 ' O ' ' A' ' 37' ' ' ARG . 3.0 mt -131.16 161.73 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.573 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 33.9 tp10 -124.25 100.18 6.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 5' ' ' GLN . 24.0 m -80.33 128.44 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.601 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -120.82 138.35 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.622 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.16 130.7 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.639 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.457 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 8.7 t -123.72 128.78 50.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.467 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.471 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.63 161.26 8.71 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.429 ' O ' ' OE2' ' A' ' 73' ' ' GLU . 53.8 Cg_exo -46.99 -44.67 22.54 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.83 2.353 . . . . 0.0 112.094 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.516 ' CD ' ' H ' ' A' ' 31' ' ' ASP . 29.3 mt-30 -94.53 7.27 46.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.569 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 19.7 pt-20 -38.31 -38.17 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.594 ' HG2' ' H ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -63.68 -48.96 75.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.564 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.594 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 19.8 mt-10 -57.63 -50.63 72.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.51 77.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.1 -44.15 89.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.613 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.43 99.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.483 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.493 ' O ' HD13 ' A' ' 82' ' ' LEU . . . -60.94 -43.68 98.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 23' ' ' LEU . 78.9 t -66.81 -42.07 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.497 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.476 HD11 HG21 ' A' ' 65' ' ' VAL . 1.1 mp -64.7 -41.43 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.22 -35.69 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 78' ' ' ALA . 5.4 mp -73.53 -38.64 65.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.412 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.691 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.59 -23.44 60.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.57 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -90.77 -1.47 57.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.571 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' B' ' 393' ' ' LEU . 7.4 ptm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 36.6 mm -98.48 124.71 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -81.21 109.49 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.464 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -112.19 157.04 21.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.559 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.86 118.89 65.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -72.73 111.0 3.14 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.826 2.35 . . . . 0.0 112.147 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -95.82 -53.03 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -120.65 108.94 36.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.5 166.06 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.774 2.316 . . . . 0.0 112.161 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 106.37 176.9 23.4 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . 0.405 HG22 ' N ' ' B' ' 181' ' ' ALA . 2.9 p -134.18 153.62 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.575 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . 0.405 ' N ' HG22 ' B' ' 180' ' ' VAL . . . -149.76 147.27 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 6.4 mt -129.94 124.09 57.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.433 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 178.16 176.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . 0.55 ' HB2' ' CE2' ' B' ' 323' ' ' PHE . 98.9 mt-10 -79.07 168.18 20.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.451 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -99.93 116.01 5.46 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . 0.467 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 4.6 t-105 -103.98 140.78 37.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.716 0.293 . . . . 0.0 110.535 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . 0.489 ' CD ' ' H ' ' B' ' 187' ' ' GLN . 2.9 pm0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.808 0.337 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 0.409 HD11 ' HA2' ' B' ' 265' ' ' GLY . 10.5 mp -51.71 128.62 24.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.591 ' OD1' ' OE2' ' B' ' 208' ' ' GLU . 23.6 p-10 -156.63 55.11 0.98 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.624 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' B' ' 209' ' ' ARG . 53.9 Cg_exo -47.23 -64.82 0.21 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.871 2.381 . . . . 0.0 112.068 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -40.47 -47.73 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.54 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . 0.735 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 3.2 tp -76.33 -39.7 53.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.489 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.633 ' HG3' ' HB2' ' B' ' 268' ' ' ALA . 1.4 tp10 -69.35 -63.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.487 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' B' ' 205' ' ' PRO . 0.1 OUTLIER -44.12 -52.07 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.93 -37.69 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.427 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.735 ' HB2' ' O ' ' B' ' 207' ' ' LEU . 1.9 ttt-85 -57.53 -48.37 79.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.488 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.487 HD21 ' HB1' ' B' ' 268' ' ' ALA . 71.4 mt -62.61 -52.95 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.466 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 40.5 p -54.74 -47.96 73.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.385 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.97 95.53 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . 0.55 ' CB ' HD22 ' B' ' 309' ' ' LEU . . . -70.86 -43.36 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.415 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' B' ' 220' ' ' ALA . 31.0 mt -59.66 -49.1 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.417 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.542 ' HG2' ' ND2' ' B' ' 221' ' ' ASN . 0.2 OUTLIER -49.42 -34.04 15.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.418 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . 0.511 ' CD ' ' HD1' ' B' ' 308' ' ' HIS . 32.4 tt0 -78.34 -33.98 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.366 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -87.5 -49.48 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.371 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.621 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.58 -51.99 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.486 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.542 ' ND2' ' HG2' ' B' ' 217' ' ' GLU . 96.6 m-20 -62.91 -34.16 76.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.4 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . 0.476 ' OE1' ' NH1' ' B' ' 304' ' ' ARG . 25.6 tt0 -68.54 -34.25 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.483 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.38 -45.22 88.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.411 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.92 -38.56 91.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 15.4 ttm105 -67.12 -31.05 71.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.509 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . 0.779 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 2.5 m-85 -64.68 -60.86 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.79 -47.53 30.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.526 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -58.08 -37.49 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.519 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . 0.431 HH12 ' HA ' ' B' ' 339' ' ' PRO . 3.1 mtp180 -68.09 -42.4 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.521 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.716 ' CD2' HG21 ' B' ' 238' ' ' THR . 19.2 m-85 -67.62 -45.33 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -54.73 -26.77 36.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.53 -22.38 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . 0.602 ' O ' ' C ' ' B' ' 234' ' ' ALA . . . -164.06 -113.93 0.3 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.602 ' C ' ' O ' ' B' ' 233' ' ' GLY . . . 21.63 -139.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.482 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.62 154.79 24.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -71.15 -19.83 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.502 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.05 -44.86 95.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.634 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.716 HG21 ' CD2' ' B' ' 230' ' ' PHE . 4.1 m -58.42 -53.81 54.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.505 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -51.3 -44.28 61.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . 0.479 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . . . -62.34 -30.49 71.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.598 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' B' ' 241' ' ' ILE . 9.9 mm -70.99 -65.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.501 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.72 -58.21 8.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -45.45 -39.5 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . 1.066 HD13 ' C ' ' B' ' 244' ' ' LEU . 0.4 OUTLIER -71.83 -37.24 70.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.789 ' N ' HD13 ' B' ' 244' ' ' LEU . 0.3 OUTLIER -72.72 -34.52 67.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 52.8 p -48.36 -53.63 16.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.68 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.532 ' C ' ' ND1' ' B' ' 247' ' ' HIS . 0.1 OUTLIER -75.39 -34.47 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.52 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 0.5 OUTLIER -63.29 -43.2 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.87 HD12 HD11 ' B' ' 301' ' ' LEU . 0.3 OUTLIER -72.35 -43.19 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . 0.835 ' N ' HD23 ' B' ' 249' ' ' LEU . 87.9 p -68.79 -11.6 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.827 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 49.4 p30 -45.86 127.35 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . 0.477 ' O ' ' CG ' ' B' ' 256' ' ' ARG . 4.3 t -58.62 1.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.662 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.549 ' H ' ' C ' ' B' ' 251' ' ' ASP . 30.6 ttp-105 -85.21 -49.15 8.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 6.4 tp -71.79 -46.48 58.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.429 HH21 ' HD3' ' B' ' 255' ' ' ARG . 30.8 ttp-105 -59.27 -55.51 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' B' ' 252' ' ' THR . 22.4 mmt85 -56.52 -40.79 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 20.4 mm-40 -54.5 -46.0 73.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.594 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.503 HD12 HG11 ' B' ' 275' ' ' VAL . 7.2 mp -57.75 -58.65 7.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.654 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' B' ' 259' ' ' PHE . 0.0 OUTLIER -55.94 -30.96 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.695 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -59.29 -42.42 91.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.73 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' B' ' 264' ' ' LYS . 4.6 tp10 -64.46 -38.13 89.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.613 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . 0.467 HG21 ' HG2' ' B' ' 208' ' ' GLU . 62.0 t -66.73 -37.14 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.598 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -13.77 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' B' ' 261' ' ' GLU . 0.0 OUTLIER -92.31 -18.03 23.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.623 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' B' ' 264' ' ' LYS . . . 121.6 18.51 3.64 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 54.0 m -102.73 166.49 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 110.485 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . 0.476 HG23 ' H ' ' B' ' 270' ' ' TRP . 31.7 m -104.38 154.96 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.633 ' HB2' ' HG3' ' B' ' 208' ' ' GLU . . . -57.04 -45.87 82.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.56 -64.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . 0.476 ' H ' HG23 ' B' ' 267' ' ' VAL . 5.7 t90 -68.14 -44.11 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -50.77 -47.94 59.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.732 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.529 HG13 HD23 ' B' ' 305' ' ' LEU . 71.2 t -59.26 -41.76 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.405 ' O ' ' OE1' ' B' ' 277' ' ' GLU . 6.1 tttt -77.07 -46.08 24.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.69 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . 0.453 ' O ' ' N ' ' B' ' 278' ' ' LYS . 93.0 m -58.2 -56.21 24.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.681 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 271' ' ' ALA . 85.5 t -50.75 -55.82 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.438 HD13 ' O ' ' B' ' 272' ' ' VAL . 1.2 mp -55.26 -38.7 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.656 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' B' ' 281' ' ' GLU . 1.0 OUTLIER -75.99 -33.91 59.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.574 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' B' ' 274' ' ' THR . 12.5 ttpt -72.86 -32.17 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.625 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . 0.526 ' O ' ' HD2' ' B' ' 283' ' ' PHE . 0.5 OUTLIER -87.2 -15.82 37.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . 0.844 ' O ' ' HB2' ' B' ' 284' ' ' ALA . . . -76.37 -39.12 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.502 ' HA ' ' HB3' ' B' ' 284' ' ' ALA . 3.5 mm-40 -85.46 -30.11 23.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -59.7 -49.81 76.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.592 ' CD1' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -87.28 -28.65 22.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . 0.844 ' HB2' ' O ' ' B' ' 280' ' ' ALA . . . -61.79 -14.53 33.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -72.16 -11.32 60.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.684 ' CB ' HD22 ' B' ' 291' ' ' LEU . 3.6 mm? -73.68 173.94 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 61.0 m -112.68 -26.5 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.698 ' O ' HD23 ' B' ' 291' ' ' LEU . 0.1 OUTLIER -42.18 128.67 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.594 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' B' ' 290' ' ' TYR . 17.3 p-10 -57.61 -49.79 75.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.516 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . 0.653 ' O ' ' HG3' ' B' ' 293' ' ' GLU . 43.5 t80 -47.48 -25.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.831 ' HG ' ' N ' ' B' ' 292' ' ' LYS . 0.5 OUTLIER -75.68 -45.46 36.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.831 ' N ' ' HG ' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -49.82 -45.69 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.533 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -72.22 -27.96 62.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.391 179.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.597 ' NH1' ' OH ' ' B' ' 290' ' ' TYR . 8.7 tpp180 -61.72 -42.61 99.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.484 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -52.78 -49.4 65.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.454 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -50.77 -44.39 48.46 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.517 ' HB3' ' CE1' ' B' ' 245' ' ' TYR . 7.8 m-20 -67.26 -42.59 83.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.33 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -51.25 70.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.298 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -53.5 -43.65 68.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.332 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . 0.499 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -64.04 -39.7 94.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.255 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.87 HD11 HD12 ' B' ' 249' ' ' LEU . 5.3 tt -58.71 -42.83 89.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.374 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -64.37 -42.65 97.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -58.79 -40.67 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.311 . . . . 0.0 110.296 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.476 ' NH1' ' OE1' ' B' ' 222' ' ' GLU . 10.5 mtp180 -75.27 -40.67 58.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.408 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . 0.529 HD23 HG13 ' B' ' 272' ' ' VAL . 3.3 tp -63.54 -41.71 98.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.415 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . 0.401 ' O ' HD23 ' B' ' 306' ' ' LEU . 6.9 tt -69.71 -34.77 74.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.322 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -66.98 -40.49 87.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.466 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . 0.511 ' HD1' ' CD ' ' B' ' 218' ' ' GLU . 55.3 m-70 -72.58 -24.51 61.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.55 HD22 ' CB ' ' B' ' 215' ' ' ALA . 0.5 OUTLIER -69.76 -7.85 43.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -139.4 73.64 1.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.825 0.345 . . . . 0.0 110.582 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 0.2 OUTLIER 172.52 166.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.559 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.433 HG13 ' HB3' ' B' ' 183' ' ' ALA . 70.3 mt -116.18 137.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 56.0 tp -78.71 121.26 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.6 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.43 HG11 HD12 ' B' ' 379' ' ' LEU . 60.5 t -117.41 113.67 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.621 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -151.17 156.94 41.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -68.42 -21.77 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -155.4 157.8 37.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.607 ' H ' HD12 ' B' ' 330' ' ' LEU . 0.3 OUTLIER -93.53 127.33 39.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . 0.498 ' OG ' ' OG1' ' B' ' 334' ' ' THR . 0.3 OUTLIER -126.8 131.25 51.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.55 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.62 82.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' B' ' 300' ' ' ALA . 14.2 p -64.95 -36.04 83.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . 0.498 ' OG1' ' OG ' ' B' ' 331' ' ' SER . 98.2 m -67.25 -53.67 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' B' ' 337' ' ' GLU . 2.6 tt -55.45 -29.26 58.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . 0.779 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -75.06 12.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' B' ' 335' ' ' LEU . 94.6 mt-10 -100.72 -31.14 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.61 145.88 34.78 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . 0.431 ' HA ' HH12 ' B' ' 229' ' ' ARG . 50.7 Cg_endo -72.73 157.1 52.58 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.748 2.299 . . . . 0.0 112.196 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -71.97 -20.64 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.71 -45.93 91.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.45 ' O ' HG23 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -82.59 -23.5 34.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.694 HD23 ' H ' ' B' ' 345' ' ' GLY . 2.1 tt -75.32 103.01 5.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 342' ' ' ARG . 1.4 t -121.61 20.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . 0.694 ' H ' HD23 ' B' ' 343' ' ' LEU . . . 162.48 161.59 12.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 25.4 t -145.55 150.77 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.576 0.227 . . . . 0.0 110.642 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 92.4 t -144.13 118.17 3.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.533 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.621 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 0.2 OUTLIER -117.48 151.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.605 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.5 -39.12 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' B' ' 351' ' ' GLY . 16.6 t70 -147.9 -91.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . 0.503 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 54.3 154.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -77.35 132.8 38.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.62 -13.58 59.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -98.95 3.83 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 79.3 p -70.35 155.11 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 18.9 pt20 -56.83 -42.21 79.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.489 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' B' ' 356' ' ' GLN . . . -62.08 -45.3 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.448 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.2 93.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.617 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 47.6 mm -74.17 -30.59 27.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 39.2 ttm -60.94 -48.25 82.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.495 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.448 HG12 ' N ' ' B' ' 362' ' ' ARG . 1.0 OUTLIER -67.36 -47.62 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.448 ' N ' HG12 ' B' ' 361' ' ' VAL . 8.0 ttp180 -58.14 -46.32 85.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.24 -22.92 64.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . 0.468 HD23 HG13 ' B' ' 366' ' ' ILE . 20.9 tp -75.24 -30.53 60.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.46 38.69 6.17 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . 0.468 HG13 HD23 ' B' ' 364' ' ' LEU . 42.2 mm -116.72 124.35 29.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.389 . . . . 0.0 110.521 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.44 132.96 20.28 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.902 2.402 . . . . 0.0 112.055 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 58.7 m -157.68 142.57 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.2 150.63 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.737 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 1.6 mtt -126.89 165.4 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.531 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.46 -6.79 61.32 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -55.5 111.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -93.75 35.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 38.0 mm -113.74 128.12 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.557 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 9.4 pm0 -66.33 150.84 96.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.68 -20.0 23.58 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.773 2.315 . . . . 0.0 112.064 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 78.0 p -62.07 -41.29 98.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 74.7 t -74.54 -34.68 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.533 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.733 ' O ' ' N ' ' B' ' 381' ' ' ARG . 66.6 mt -68.16 -31.65 71.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.592 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER 23.45 -81.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.733 ' N ' ' O ' ' B' ' 379' ' ' LEU . 17.2 ptp180 -147.03 22.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . 0.479 ' NH2' ' OD2' ' B' ' 396' ' ' ASP . 1.7 ttt180 -68.32 174.5 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 88.2 m -79.36 123.48 27.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.92 115.61 24.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 80.1 mt -107.3 100.54 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.656 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.8 145.19 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.441 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.725 ' O ' ' N ' ' B' ' 391' ' ' GLY . 54.5 t0 -129.74 83.94 2.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.618 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -45.23 -45.27 10.43 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -54.5 42.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -90.57 -1.53 57.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.725 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 43.78 55.31 5.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . 0.564 ' O ' HD23 ' B' ' 393' ' ' LEU . 20.8 mt-10 -129.49 157.21 42.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' B' ' 173' ' ' ALA . 2.4 mt -127.48 128.77 46.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 10.2 mt -123.88 144.75 49.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.56 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.628 ' O ' ' C ' ' B' ' 396' ' ' ASP . 7.0 p -116.32 124.02 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.628 ' C ' ' O ' ' B' ' 395' ' ' VAL . 12.6 p30 15.93 62.4 0.16 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.534 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' B' ' 395' ' ' VAL . 50.6 Cg_endo . . . . . 0 C--N 1.305 -1.752 0 C-N-CA 122.948 2.432 . . . . 0.0 112.102 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ptp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -82.15 160.3 23.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -134.28 116.63 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.555 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -122.56 172.46 8.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.698 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -161.52 132.8 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.436 ' H ' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -80.36 128.8 33.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.637 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 7' ' ' VAL . 9.5 p -130.13 125.58 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.409 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -81.73 125.57 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.916 HG12 HD11 ' A' ' 63' ' ' ILE . 23.3 mm -89.16 104.26 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.2 p -82.3 54.43 2.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.3 OUTLIER 65.35 22.29 12.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 14' ' ' GLY . 10.9 tttt -161.27 97.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.643 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -62.14 -2.84 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 179.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.708 ' C ' ' SD ' ' A' ' 15' ' ' MET . . . 161.96 -35.98 0.37 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.991 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 173.61 -128.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.789 0.328 . . . . 0.0 110.557 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.693 ' N ' ' HG2' ' A' ' 15' ' ' MET . 83.1 t60 -88.95 -48.33 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 172.58 101.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 1.014 ' H ' ' CD ' ' A' ' 19' ' ' PRO . 1.2 ttt85 -167.53 -32.29 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 1.014 ' CD ' ' H ' ' A' ' 18' ' ' ARG . 35.1 Cg_endo -67.78 -41.38 8.16 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.789 2.326 . . . . 0.0 112.066 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -68.85 -39.89 79.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.2 ttp -72.64 -39.56 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.514 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 13.7 tptt -63.42 -36.96 85.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.559 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.847 HD22 HG21 ' A' ' 34' ' ' VAL . 1.5 mt -50.13 -44.85 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.654 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -56.95 -38.7 73.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -74.2 -34.11 63.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.526 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.66 -40.91 79.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ttm -56.61 -32.09 64.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.655 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -81.29 -35.31 31.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.19 -30.67 45.27 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.537 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 29.4 m-85 -106.85 149.46 27.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.588 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.755 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 2.0 m-20 -93.82 96.64 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 165.74 154.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.53 130.15 45.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.864 ' O ' HD12 ' A' ' 35' ' ' LEU . 28.8 m -107.57 132.67 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.864 HD12 ' O ' ' A' ' 34' ' ' VAL . 3.4 mp -134.49 137.75 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 36' ' ' LEU . 6.6 mp -108.4 151.25 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.642 ' O ' HG22 ' A' ' 63' ' ' ILE . 25.3 ttm-85 -148.51 134.01 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.652 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.569 ' HA ' ' CG2' ' A' ' 63' ' ' ILE . 30.7 m120 -89.86 156.85 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 64.0 t0 -53.46 -27.99 27.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -67.6 -10.37 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.94 11.65 59.98 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.6 m -84.58 116.98 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -77.78 103.5 7.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.652 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.78 65.56 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.49 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.616 ' HB3' HD22 ' A' ' 47' ' ' ASN . 89.4 mt-10 -40.85 121.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -9.28 10.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.616 HD22 ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -100.4 27.36 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.532 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.76 122.76 11.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.544 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.706 ' O ' HD13 ' A' ' 53' ' ' LEU . 75.3 t -62.37 -36.18 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.47 HG22 ' HE1' ' B' ' 283' ' ' PHE . 17.2 pt -60.7 -38.3 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.652 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -64.62 -43.21 94.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.506 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.413 HD22 ' HB1' ' A' ' 20' ' ' ALA . 97.3 mt -58.09 -38.12 75.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 49' ' ' VAL . 11.0 mp -65.14 -36.62 84.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.592 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.5 mtt -67.5 -38.89 85.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 55' ' ' LEU . 1.7 tt -60.53 -36.12 77.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.647 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -52.3 -34.86 48.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.583 ' HB3' ' OD2' ' B' ' 288' ' ' ASP . 0.1 OUTLIER -76.82 -7.03 54.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.73 29.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.574 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 15.0 pttt -69.27 96.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.74 5.16 39.21 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.693 ' NH2' ' H ' ' A' ' 62' ' ' GLN . 0.4 OUTLIER -105.66 165.4 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.562 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.894 ' C ' HD13 ' A' ' 63' ' ' ILE . 1.7 tm0? -98.2 142.96 29.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.52 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.916 HD11 HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -129.32 163.06 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.586 ' OE1' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -125.74 99.5 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.513 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.598 HG11 HG21 ' A' ' 79' ' ' VAL . 21.5 t -79.89 129.47 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -122.13 140.39 52.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.48 131.5 27.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.685 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.7 t -121.91 141.81 50.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.92 -176.42 19.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.755 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -73.58 -36.22 4.03 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.802 2.335 . . . . 0.0 112.147 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.558 ' OE1' ' N ' ' A' ' 31' ' ' ASP . 91.8 mt-30 -99.29 4.55 46.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.573 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 71' ' ' GLN . 16.9 pt-20 -36.85 -42.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -58.32 -48.91 79.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' GLN . 25.9 mm-40 -59.11 -49.67 76.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.661 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.981 ' O ' HG13 ' A' ' 79' ' ' VAL . . . -58.39 -48.4 80.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.947 ' O ' HG22 ' A' ' 79' ' ' VAL . 2.7 tt -65.05 -43.71 91.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.14 99.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.544 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.01 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.981 HG13 ' O ' ' A' ' 75' ' ' ALA . 2.9 m -66.28 -42.09 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.493 ' N ' HG23 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -65.36 -40.96 90.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.55 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.425 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.67 -37.36 87.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -71.81 -38.39 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.5 m-85 -69.45 -31.51 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.612 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -83.03 -3.75 57.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 171' ' ' ILE . . . . . 0.516 HD13 ' OD1' ' B' ' 373' ' ' ASP . 85.6 mt -132.35 139.18 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 172' ' ' ARG . . . . . 0.673 ' H ' ' HD3' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -87.72 117.51 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . 0.953 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -115.19 156.8 24.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 174' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' B' ' 370' ' ' MET . 1.0 OUTLIER -71.91 114.9 32.85 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -72.54 116.06 4.57 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.802 2.335 . . . . 0.0 112.13 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -93.39 -27.69 16.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.484 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -153.08 109.93 2.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.42 152.14 2.6 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.902 2.401 . . . . 0.0 112.124 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 132.28 162.65 10.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.14 149.01 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -151.47 146.65 26.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 5.4 mt -123.63 122.12 64.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 183' ' ' ALA . . . . . 0.641 ' O ' HD13 ' B' ' 384' ' ' LEU . . . -169.3 -171.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.571 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 184' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' B' ' 382' ' ' ARG . 15.5 mt-10 -100.59 159.12 15.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 185' ' ' GLY . . . . . 0.535 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -87.44 126.62 8.08 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 186' ' ' TRP . . . . . 0.421 ' O ' HG12 ' B' ' 326' ' ' VAL . 63.7 t-105 -142.58 148.31 37.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 110.557 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.543 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.778 0.323 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 203' ' ' LEU . . . . . 0.573 HD23 ' H ' ' B' ' 203' ' ' LEU . 2.0 pt? -85.06 139.19 31.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.515 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 204' ' ' ASP . . . . . 0.64 ' OD1' ' HG2' ' B' ' 208' ' ' GLU . 0.1 OUTLIER -158.4 84.52 2.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.08 -29.59 12.61 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.838 2.358 . . . . 0.0 112.141 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -70.23 -43.57 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.564 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 207' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 5.3 mt -94.83 -33.12 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.462 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 208' ' ' GLU . . . . . 0.73 ' OE1' ' N ' ' B' ' 268' ' ' ALA . 8.8 mm-40 -65.23 -58.84 4.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.516 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.24 -46.55 79.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -68.6 -38.49 80.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 211' ' ' ARG . . . . . 0.599 ' NH2' ' HB3' ' B' ' 268' ' ' ALA . 0.1 OUTLIER -52.16 -50.18 62.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . 0.513 HD21 ' CG2' ' B' ' 272' ' ' VAL . 0.6 OUTLIER -70.73 -51.77 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.56 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 28.6 m -51.57 -54.92 22.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.557 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -57.67 -34.37 70.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 215' ' ' ALA . . . . . 0.7 ' CB ' HD22 ' B' ' 309' ' ' LEU . . . -69.75 -46.16 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.511 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 216' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.3 mp -55.1 -50.25 69.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 217' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 2.7 mm-40 -54.56 -27.96 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.528 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -81.28 -35.52 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 219' ' ' ALA . . . . . 0.418 ' HB2' ' CD2' ' B' ' 308' ' ' HIS . . . -97.09 -52.6 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . 0.692 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -49.42 -52.73 26.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 221' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 97.5 m-20 -65.36 -33.29 75.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -66.61 -40.46 88.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 223' ' ' PHE . . . . . 0.504 ' CZ ' ' NH1' ' B' ' 304' ' ' ARG . 5.0 m-85 -64.89 -45.81 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 224' ' ' ARG . . . . . 0.4 HH21 ' HD2' ' B' ' 224' ' ' ARG . 3.7 ttm105 -56.27 -55.79 28.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -61.06 -28.55 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -56.13 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.51 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.03 -50.04 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 228' ' ' LYS . . . . . 0.591 ' H ' ' HD2' ' B' ' 228' ' ' LYS . 0.2 OUTLIER -51.88 -43.4 63.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.616 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -64.83 -42.95 94.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 230' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' B' ' 234' ' ' ALA . 2.9 m-85 -65.51 -48.23 73.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.516 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 231' ' ' ALA . . . . . 0.635 ' HB2' ' CB ' ' B' ' 239' ' ' ALA . . . -50.19 -35.23 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.31 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.597 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -123.4 -67.75 0.22 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 234' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -51.32 179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.565 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 235' ' ' GLN . . . . . 0.434 ' H ' ' HG3' ' B' ' 235' ' ' GLN . 0.0 OUTLIER -79.73 171.82 14.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 236' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' B' ' 237' ' ' GLU . 64.5 pttt -65.19 -39.75 93.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' B' ' 236' ' ' LYS . 5.6 tt0 -49.52 -49.19 46.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 238' ' ' THR . . . . . 0.409 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -60.09 -58.93 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 239' ' ' ALA . . . . . 0.635 ' CB ' ' HB2' ' B' ' 231' ' ' ALA . . . -55.16 -42.4 73.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.476 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -66.99 -27.35 67.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 241' ' ' ILE . . . . . 0.469 HG22 ' N ' ' B' ' 242' ' ' PHE . 6.9 mt -70.54 -61.12 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.541 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 242' ' ' PHE . . . . . 0.779 ' CZ ' ' HB2' ' B' ' 336' ' ' ALA . 36.7 m-85 -54.71 -56.13 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 243' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' B' ' 242' ' ' PHE . 0.5 OUTLIER -36.65 -41.96 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.491 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 29.6 tp -70.75 -35.29 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 245' ' ' TYR . . . . . 0.599 ' N ' ' O ' ' B' ' 242' ' ' PHE . 9.1 m-30 -70.2 -43.32 70.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 35.2 m -45.36 -43.19 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.639 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 247' ' ' HIS . . . . . 0.569 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 0.7 OUTLIER -74.58 -26.28 59.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 248' ' ' LEU . . . . . 0.711 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 2.5 tt -62.32 -45.01 95.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 249' ' ' LEU . . . . . 0.556 HD23 HD23 ' B' ' 248' ' ' LEU . 5.8 mt -74.41 -42.89 58.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 54.3 p -73.5 -19.01 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 251' ' ' ASP . . . . . 0.884 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 50.4 p30 -52.12 128.42 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 4.9 t -60.0 -0.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 253' ' ' ARG . . . . . 0.568 HH21 HD12 ' B' ' 254' ' ' LEU . 3.8 tmt_? -76.43 -52.99 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 254' ' ' LEU . . . . . 0.568 HD12 HH21 ' B' ' 253' ' ' ARG . 0.0 OUTLIER -74.58 -36.98 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.613 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 255' ' ' ARG . . . . . 0.562 HH11 HH12 ' B' ' 256' ' ' ARG . 10.8 ttp-105 -61.03 -48.13 83.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 256' ' ' ARG . . . . . 0.562 HH12 HH11 ' B' ' 255' ' ' ARG . 9.3 mmp_? -64.06 -42.18 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.791 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.92 -49.82 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.721 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 258' ' ' LEU . . . . . 0.563 HD23 HG21 ' B' ' 275' ' ' VAL . 14.9 mt -57.17 -53.02 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 259' ' ' PHE . . . . . 0.67 ' O ' HG22 ' B' ' 262' ' ' VAL . 6.9 m-30 -57.49 -31.34 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.63 80.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -70.48 -48.43 55.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 262' ' ' VAL . . . . . 0.67 HG22 ' O ' ' B' ' 259' ' ' PHE . 2.4 m -60.5 -39.24 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 263' ' ' ASP . . . . . 0.458 ' N ' ' CG2' ' B' ' 262' ' ' VAL . 93.0 m-20 -64.54 -12.62 46.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -93.59 -19.37 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 122.98 12.58 4.82 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 266' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' B' ' 262' ' ' VAL . 45.9 t -92.76 153.65 18.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.576 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 267' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' B' ' 268' ' ' ALA . 82.6 t -98.6 143.88 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.541 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 268' ' ' ALA . . . . . 0.73 ' N ' ' OE1' ' B' ' 208' ' ' GLU . . . -37.9 -45.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 269' ' ' GLU . . . . . 0.421 ' H ' HG12 ' B' ' 267' ' ' VAL . 0.1 OUTLIER -47.66 -60.54 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -73.64 -39.23 64.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 271' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -47.22 -56.12 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 272' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 276' ' ' ILE . 82.1 t -63.42 -31.94 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 273' ' ' LYS . . . . . 0.688 ' O ' HG13 ' B' ' 276' ' ' ILE . 57.6 tttt -73.29 -40.49 64.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.7 m -66.62 -50.81 61.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 275' ' ' VAL . . . . . 0.563 HG21 HD23 ' B' ' 258' ' ' LEU . 69.3 t -50.56 -54.51 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 276' ' ' ILE . . . . . 0.921 HG23 ' O ' ' B' ' 272' ' ' VAL . 1.3 pp -57.82 -30.94 39.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 277' ' ' GLU . . . . . 0.565 ' N ' HG13 ' B' ' 276' ' ' ILE . 92.1 mt-10 -76.25 -34.67 59.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.684 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 278' ' ' LYS . . . . . 0.603 ' O ' ' CD ' ' B' ' 281' ' ' GLU . 5.2 mtpm? -64.3 -31.26 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 279' ' ' PHE . . . . . 0.556 ' C ' ' CD1' ' B' ' 279' ' ' PHE . 0.0 OUTLIER -79.06 -32.01 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -43.12 -48.45 6.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.6 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.603 ' CD ' ' O ' ' B' ' 278' ' ' LYS . 24.4 pm0 -82.65 -24.9 33.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 282' ' ' GLN . . . . . 0.502 ' N ' ' HG2' ' B' ' 281' ' ' GLU . 13.2 tt0 -60.0 -51.04 71.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 283' ' ' PHE . . . . . 0.47 ' HE1' HG22 ' A' ' 50' ' ' ILE . 8.2 m-30 -78.09 -30.92 49.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.619 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 284' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -54.97 -58.16 8.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 285' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -33.6 -40.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.476 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 286' ' ' LEU . . . . . 0.987 ' HB2' HD21 ' B' ' 291' ' ' LEU . 16.6 mt -79.11 151.23 31.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 94.7 p -111.16 -7.14 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 288' ' ' ASP . . . . . 0.791 ' CG ' HD23 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -50.21 120.51 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 289' ' ' ASN . . . . . 0.829 HD22 ' N ' ' B' ' 290' ' ' TYR . 0.5 OUTLIER -58.62 -51.73 68.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.492 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 290' ' ' TYR . . . . . 0.829 ' N ' HD22 ' B' ' 289' ' ' ASN . 57.6 t80 -48.79 -35.94 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 291' ' ' LEU . . . . . 0.987 HD21 ' HB2' ' B' ' 286' ' ' LEU . 0.3 OUTLIER -91.1 -41.89 10.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 292' ' ' LYS . . . . . 0.73 ' N ' ' HG ' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -41.46 -53.21 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.456 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . 0.428 ' OE2' ' CD ' ' B' ' 356' ' ' GLN . 0.1 OUTLIER -65.61 -38.08 88.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.397 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 294' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' B' ' 291' ' ' LEU . 12.8 tpp85 -45.12 -40.6 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.373 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -50.36 -47.62 56.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -53.06 -42.38 61.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 297' ' ' ASP . . . . . 0.537 ' OD2' HG23 ' B' ' 333' ' ' THR . 1.0 OUTLIER -63.3 -40.92 98.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.813 0.34 . . . . 0.0 110.285 179.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 298' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' B' ' 279' ' ' PHE . 1.6 mm? -55.55 -46.3 77.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.295 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -56.61 -41.88 77.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.249 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.18 95.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.263 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.468 HD22 HD11 ' B' ' 249' ' ' LEU . 58.1 mt -61.26 -42.42 98.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.326 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.41 -42.56 98.99 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -39.95 86.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.354 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 304' ' ' ARG . . . . . 0.504 ' NH1' ' CZ ' ' B' ' 223' ' ' PHE . 15.3 mmm-85 -65.04 -41.04 95.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.402 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 305' ' ' LEU . . . . . 0.498 HD21 HD11 ' B' ' 216' ' ' LEU . 4.6 mp -60.78 -39.52 89.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . 0.563 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.6 OUTLIER -65.28 -37.37 86.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.293 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.45 -45.09 80.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.351 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 308' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' B' ' 219' ' ' ALA . 76.8 m-70 -71.04 -23.86 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.44 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 309' ' ' LEU . . . . . 0.7 HD22 ' CB ' ' B' ' 215' ' ' ALA . 0.4 OUTLIER -63.05 -15.49 56.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.504 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 310' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 0.0 OUTLIER -123.89 108.44 12.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.499 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 322' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.853 0.359 . . . . 0.0 110.584 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 323' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' B' ' 322' ' ' ARG . 49.9 p90 178.35 169.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . 0.469 ' C ' HD12 ' B' ' 324' ' ' ILE . 2.3 pp -107.13 156.47 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 33.2 tp -94.71 114.81 26.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . 0.722 HG13 ' O ' ' B' ' 326' ' ' VAL . 7.8 p -114.13 93.92 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.699 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -128.7 163.1 25.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.528 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 328' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 43.2 p-10 -71.83 -27.46 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.542 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 9.7 pt-20 -144.37 135.3 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.839 HD23 HG22 ' B' ' 348' ' ' VAL . 0.2 OUTLIER -83.28 126.38 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.477 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 6.0 t -137.1 130.52 31.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.44 -38.57 63.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . 0.537 HG23 ' OD2' ' B' ' 297' ' ' ASP . 11.6 p -53.42 -43.13 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 98.7 m -59.18 -47.32 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.493 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.461 HD11 HD22 ' B' ' 343' ' ' LEU . 0.8 OUTLIER -58.79 -30.87 67.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 336' ' ' ALA . . . . . 0.779 ' HB2' ' CZ ' ' B' ' 242' ' ' PHE . . . -64.37 -3.52 3.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.51 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -93.64 -41.48 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.477 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.75 147.66 37.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.7 143.21 37.18 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.815 2.343 . . . . 0.0 112.181 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 340' ' ' GLN . . . . . 0.403 HE22 ' CD2' ' B' ' 364' ' ' LEU . 1.7 mt-30 -61.29 -20.98 63.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -62.49 -43.21 99.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -76.95 -22.14 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.502 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.461 HD22 HD11 ' B' ' 335' ' ' LEU . 15.5 tp -69.6 114.75 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.95 7.25 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 174.37 164.27 29.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.526 ' HB ' HG23 ' B' ' 368' ' ' THR . 0.2 OUTLIER -141.56 139.66 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.936 0.398 . . . . 0.0 110.649 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.78 127.14 44.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.521 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 348' ' ' VAL . . . . . 0.839 HG22 HD23 ' B' ' 330' ' ' LEU . 1.4 t -126.97 146.59 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.616 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . 0.42 ' NH1' ' OE1' ' B' ' 375' ' ' GLN . 49.9 mtp180 -90.79 -37.17 13.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.473 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -135.81 -132.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . 71.28 167.25 7.83 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -108.54 145.29 35.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 110.583 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.58 -15.07 63.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -82.32 1.29 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 355' ' ' SER . . . . . 0.448 ' OG ' ' HB2' ' B' ' 358' ' ' ALA . 83.5 p -63.9 153.68 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.588 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . 0.428 ' CD ' ' OE2' ' B' ' 293' ' ' GLU . 15.1 pt20 -63.81 -43.32 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.61 94.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 358' ' ' ALA . . . . . 0.448 ' HB2' ' OG ' ' B' ' 355' ' ' SER . . . -58.56 -41.3 85.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.9 mt -73.32 -28.94 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 360' ' ' MET . . . . . 0.649 ' O ' HD13 ' B' ' 364' ' ' LEU . 15.5 tmm? -66.8 -48.79 67.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.512 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . 0.523 HG23 ' N ' ' B' ' 362' ' ' ARG . 23.7 m -66.7 -45.84 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 362' ' ' ARG . . . . . 0.523 ' N ' HG23 ' B' ' 361' ' ' VAL . 18.0 ttp180 -61.64 -42.77 99.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.27 -24.36 63.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 364' ' ' LEU . . . . . 0.649 HD13 ' O ' ' B' ' 360' ' ' MET . 2.2 mp -73.35 -25.45 60.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 96.18 36.31 5.23 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 366' ' ' ILE . . . . . 0.682 ' CG2' ' HD2' ' B' ' 367' ' ' PRO . 34.7 mm -116.73 142.99 30.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.58 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 367' ' ' PRO . . . . . 0.682 ' HD2' ' CG2' ' B' ' 366' ' ' ILE . 53.3 Cg_endo -73.34 126.99 11.46 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.816 2.344 . . . . 0.0 112.126 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 368' ' ' THR . . . . . 0.526 HG23 ' HB ' ' B' ' 346' ' ' VAL . 87.9 m -137.36 145.09 42.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.612 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.14 147.0 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 370' ' ' MET . . . . . 0.953 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 6.0 mtt -126.94 163.32 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.91 -9.63 61.85 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -57.77 119.18 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 373' ' ' ASP . . . . . 0.516 ' OD1' HD13 ' B' ' 171' ' ' ILE . 33.2 p30 -108.24 54.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.579 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 29.9 mm -111.86 122.35 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.609 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 375' ' ' GLN . . . . . 0.42 ' OE1' ' NH1' ' B' ' 349' ' ' ARG . 6.7 mm100 -59.41 115.73 13.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.56 -39.29 29.35 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.781 2.321 . . . . 0.0 112.172 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 82.3 p -51.74 -49.33 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.66 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.09 -36.45 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 379' ' ' LEU . . . . . 0.71 ' O ' ' N ' ' B' ' 381' ' ' ARG . 48.6 mt -65.29 -31.49 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 380' ' ' HIS . . . . . 0.54 ' C ' ' O ' ' B' ' 379' ' ' LEU . 18.8 t-160 26.41 -83.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 381' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.0 OUTLIER -146.23 26.09 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 382' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' B' ' 184' ' ' GLU . 6.7 mtt-85 -68.39 178.41 1.98 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . 0.467 ' O ' ' OD1' ' B' ' 396' ' ' ASP . 92.4 m -97.74 134.44 40.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 384' ' ' LEU . . . . . 1.092 HD22 ' O ' ' B' ' 384' ' ' LEU . 0.0 OUTLIER -146.23 127.45 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.534 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 385' ' ' ILE . . . . . 0.509 ' N ' HD12 ' B' ' 385' ' ' ILE . 4.3 mp -103.1 128.46 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.68 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 8.8 m -104.55 146.06 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.471 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 387' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' B' ' 391' ' ' GLY . 67.1 t0 -134.1 83.56 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.514 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -57.37 -38.56 87.41 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.23 -54.2 34.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.593 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 390' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' B' ' 390' ' ' ARG . 0.0 OUTLIER -95.28 -5.97 42.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 391' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 56.13 64.12 4.68 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 392' ' ' GLU . . . . . 0.464 ' HG2' ' H ' ' B' ' 393' ' ' LEU . 0.9 OUTLIER -143.4 157.19 44.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.529 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.464 ' H ' ' HG2' ' B' ' 392' ' ' GLU . 50.3 tp -125.44 126.36 44.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.501 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 394' ' ' LEU . . . . . 0.681 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 15.8 mt -99.67 141.59 32.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 395' ' ' VAL . . . . . 0.768 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 0.0 OUTLIER -117.47 99.07 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.536 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 396' ' ' ASP . . . . . 0.567 ' N ' ' CD ' ' B' ' 397' ' ' PRO . 0.1 OUTLIER 28.04 47.93 0.22 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 397' ' ' PRO . . . . . 0.768 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 39.3 Cg_endo . . . . . 0 C--N 1.304 -1.765 0 C-N-CA 122.885 2.39 . . . . 0.0 112.155 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.611 HG22 ' OG1' ' A' ' 68' ' ' THR . 71.1 p -82.91 159.96 22.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 1.149 HG21 ' OE1' ' A' ' 72' ' ' GLU . 16.8 m -134.62 118.29 25.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -125.07 174.32 8.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.622 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -163.22 131.86 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 6' ' ' THR . 14.8 t -77.98 129.23 35.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.44 123.62 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.46 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.622 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -80.26 126.81 31.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.559 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.4 mt -90.16 105.84 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.662 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.497 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -82.98 55.13 2.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.51 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 63.81 25.44 14.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.52 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 3.2 ttpt -165.96 97.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.976 HD13 ' H ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -61.98 -1.56 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.515 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . 147.97 -124.18 1.85 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.32 98.67 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.434 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 54.56 -96.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.479 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB3' ' NH1' ' A' ' 18' ' ' ARG . . . -144.08 -0.16 1.03 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.551 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.616 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 14.6 mmp_? -52.33 -45.96 94.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.545 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.616 ' HD3' ' HB2' ' A' ' 18' ' ' ARG . 52.3 Cg_exo -47.63 -49.43 13.44 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.853 2.369 . . . . 0.0 112.134 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.97 -40.0 90.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.647 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -69.43 -43.33 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.18 -37.88 86.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.945 HD21 HG22 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -48.65 -43.69 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.525 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.35 -36.27 75.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.675 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -76.27 -34.63 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.896 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 96.6 mt -68.0 -40.96 82.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.825 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 2.8 tpp -58.24 -27.91 64.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.691 ' N ' HE21 ' A' ' 28' ' ' GLN . 0.0 OUTLIER -87.2 -28.71 22.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.599 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.9 -25.04 35.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.896 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 2.0 p90 -119.44 135.7 54.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.574 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.751 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 29.9 t0 -77.75 110.82 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.601 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.772 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 155.13 148.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -98.23 129.07 44.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.61 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.783 ' O ' HD12 ' A' ' 35' ' ' LEU . 6.5 p -106.82 132.47 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 34' ' ' VAL . 5.8 mp -133.54 138.56 46.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.778 ' C ' ' HG2' ' A' ' 37' ' ' ARG . 4.2 mp -108.87 149.42 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.477 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.778 ' HG2' ' C ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -146.15 134.28 21.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.499 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.489 ' ND2' ' SD ' ' A' ' 54' ' ' MET . 67.1 m-80 -90.72 155.36 18.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -52.82 -26.99 16.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 34.5 tt0 -68.82 -9.93 53.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.549 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' OE2' ' A' ' 43' ' ' GLU . . . 91.44 12.14 60.06 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -85.3 116.48 23.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -77.69 103.04 7.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.63 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.643 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.27 65.39 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.553 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -40.64 120.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.6 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -62.7 -10.17 11.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -99.7 28.46 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.548 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -146.55 123.8 11.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.1 m -63.75 -35.61 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.446 HD11 ' CZ ' ' B' ' 279' ' ' PHE . 60.5 mt -61.47 -37.0 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.507 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.643 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.65 -42.45 91.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.6 tp -58.23 -38.78 77.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.615 ' O ' HD13 ' B' ' 286' ' ' LEU . 34.1 mt -65.18 -36.75 85.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.49 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.534 ' CE ' HH12 ' A' ' 61' ' ' ARG . 1.9 tmt? -67.89 -36.79 80.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.1 tp -62.69 -36.06 81.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -52.72 -35.19 55.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.9 p -76.19 -6.59 51.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.25 29.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 59' ' ' LYS . 16.9 ptmt -69.84 97.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.02 4.72 38.67 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.534 HH12 ' CE ' ' A' ' 54' ' ' MET . 24.1 mtm180 -105.47 165.44 11.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.745 0.307 . . . . 0.0 110.546 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.61 143.15 29.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.42 ' CD1' HG13 ' A' ' 65' ' ' VAL . 1.1 pt -130.02 163.64 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.589 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -126.09 100.6 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -80.52 129.44 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 1.5 pt-20 -121.76 139.47 53.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.533 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 3' ' ' VAL . . . -138.42 131.48 29.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.622 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.611 ' OG1' HG22 ' A' ' 2' ' ' THR . 56.1 m -121.91 140.76 52.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.615 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.826 ' O ' ' HG3' ' A' ' 72' ' ' GLU . . . 133.52 -177.11 19.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -72.62 -37.01 4.37 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.839 2.359 . . . . 0.0 112.13 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.1 mt-30 -97.9 3.89 49.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.594 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 1.149 ' OE1' HG21 ' A' ' 3' ' ' VAL . 1.2 pp20? -35.86 -42.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.569 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.855 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 4.1 tp10 -57.86 -50.01 74.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.4 tm-20 -57.87 -52.52 65.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.796 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.26 -49.82 71.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.574 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.622 HD21 ' HB2' ' A' ' 5' ' ' GLN . 62.2 tp -64.29 -44.64 91.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.606 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.42 99.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.645 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.34 99.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.945 HG22 HD21 ' A' ' 23' ' ' LEU . 24.4 t -66.45 -43.18 91.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -64.22 -41.32 92.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.504 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.22 -37.06 85.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.56 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.21 -37.16 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.72 -32.36 70.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.553 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 85' ' ' SER . 62.3 m-80 -82.41 -5.73 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 3.3 m . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.49 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' B' ' 393' ' ' LEU . 4.7 ttt85 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 27.0 mm -108.86 132.61 56.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -87.63 109.93 20.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.573 ' HB2' HD11 ' B' ' 393' ' ' LEU . . . -118.74 149.6 41.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.6 HD22 ' N ' ' B' ' 174' ' ' LEU . 3.7 mm? -73.05 117.56 61.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . 0.454 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 49.3 Cg_endo -72.75 112.09 3.41 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.789 2.326 . . . . 0.0 112.108 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -90.81 -22.77 20.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -147.64 108.86 3.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.47 161.29 0.29 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.82 2.347 . . . . 0.0 112.128 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . 0.584 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 118.44 159.91 11.33 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.9 p -128.21 144.65 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.499 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -154.41 150.22 27.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.571 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 8.3 tt -126.1 131.43 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.587 ' HB1' ' HA ' ' B' ' 323' ' ' PHE . . . -177.55 168.21 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.531 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 184' ' ' GLU . 10.8 pm0 -74.47 162.79 28.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.548 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.659 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.75 122.87 7.7 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -131.81 135.61 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.544 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.16 144.58 27.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' B' ' 190' ' ' THR . 10.6 t0 -66.67 149.19 50.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' B' ' 188' ' ' ASP . . . -69.42 16.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . 0.54 ' H ' ' C ' ' B' ' 188' ' ' ASP . 49.3 m -81.0 109.5 15.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.438 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 1.5 mt -134.61 145.25 54.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.86 128.78 16.69 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.866 2.377 . . . . 0.0 112.053 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.651 ' O ' ' NZ ' ' B' ' 273' ' ' LYS . 2.6 mp -120.61 9.21 10.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . 0.797 ' O ' HG13 ' B' ' 197' ' ' VAL . 39.9 ttp -72.53 -32.11 65.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.9 -6.63 3.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -93.76 15.93 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.797 HG13 ' O ' ' B' ' 194' ' ' MET . 19.4 m -75.91 119.8 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -125.54 158.22 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.507 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -117.66 129.08 55.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . 0.702 ' HB3' ' CH2' ' B' ' 270' ' ' TRP . . . -171.88 172.82 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 70.0 m -116.16 130.23 56.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.623 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 27.7 m -131.83 144.16 50.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 0.774 ' H ' HD12 ' B' ' 203' ' ' LEU . 0.1 OUTLIER -98.17 91.26 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.668 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 30.5 p-10 -157.02 46.31 0.25 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 54.4 Cg_exo -46.81 -54.36 5.02 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.83 2.353 . . . . 0.0 112.117 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -81.89 -49.96 9.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -49.23 -43.49 42.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.542 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.548 ' HG3' ' HB2' ' B' ' 268' ' ' ALA . 5.4 tp10 -71.64 -50.24 32.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -52.19 -53.45 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.476 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -61.8 -39.7 92.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.494 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.432 HH12 ' CD ' ' B' ' 269' ' ' GLU . 14.2 ttt-85 -55.64 -39.93 71.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.454 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.423 HD23 ' HB1' ' B' ' 268' ' ' ALA . 0.1 OUTLIER -64.7 -50.4 67.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.409 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 89.4 m -56.13 -49.49 73.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.46 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.77 -36.0 84.66 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.37 -40.44 77.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.485 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.8 mm? -57.22 -51.01 71.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.37 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 4.0 mm-40 -52.47 -36.07 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.357 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -79.24 -32.04 43.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.402 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.0 -49.34 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.399 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.697 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.44 -49.81 73.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.373 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 98.0 m-20 -64.65 -33.41 75.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.383 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 3.3 tm-20 -70.32 -34.93 73.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.464 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.66 -43.94 52.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -61.82 -40.63 95.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.397 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -33.69 70.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.735 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.2 OUTLIER -60.46 -57.19 13.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 68.1 p -59.5 -41.54 90.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.531 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -38.37 45.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -69.92 -41.26 74.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.96 -49.23 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.41 65.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.84 -18.16 65.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . 0.904 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -142.42 -91.83 0.17 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.904 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -10.1 -122.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.636 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.71 176.19 8.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -83.71 -27.17 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.647 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.67 -44.08 97.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.589 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.81 -54.72 30.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' B' ' 243' ' ' ASP . . . -54.52 -43.52 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.14 82.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.545 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.39 -62.46 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.531 ' O ' ' N ' ' B' ' 245' ' ' TYR . 33.3 m-85 -57.4 -61.04 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' B' ' 242' ' ' PHE . 66.7 t0 -35.42 -42.67 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.596 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.74 -43.29 89.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.536 ' O ' ' HB3' ' B' ' 248' ' ' LEU . 0.4 OUTLIER -71.65 -39.08 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.634 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 41.0 t -50.23 -43.82 53.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -70.17 -29.26 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.592 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.543 ' CD1' HH22 ' B' ' 253' ' ' ARG . 3.9 tp -59.79 -66.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.725 ' HB3' HD21 ' B' ' 301' ' ' LEU . 3.0 pp -52.9 -38.51 61.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.585 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . 0.723 ' N ' HD12 ' B' ' 249' ' ' LEU . 51.9 p -75.6 -19.2 59.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' B' ' 253' ' ' ARG . 62.2 t0 -57.49 123.03 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.58 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 1.8 t -52.5 -6.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.565 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.87 ' O ' ' HG3' ' B' ' 256' ' ' ARG . 2.5 ttp-105 -75.15 -49.88 18.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.89 -45.25 78.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -58.72 -49.68 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . 0.87 ' HG3' ' O ' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -58.38 -40.22 81.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.556 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' B' ' 256' ' ' ARG . 2.4 mt-10 -59.17 -49.51 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.985 HD21 HG23 ' B' ' 272' ' ' VAL . 6.8 mp -59.75 -47.37 85.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -31.3 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.671 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.3 97.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . 0.464 ' HA ' ' NZ ' ' B' ' 264' ' ' LYS . 80.6 mm-40 -63.15 -37.39 87.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 45.1 t -68.09 -33.36 60.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.92 -19.06 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . 0.464 ' NZ ' ' HA ' ' B' ' 261' ' ' GLU . 15.4 mttp -96.58 -24.55 15.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.558 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.65 21.42 2.19 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 45.9 t -85.69 154.4 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.603 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.48 133.49 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.548 ' HB2' ' HG3' ' B' ' 208' ' ' GLU . . . -46.14 -54.15 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' B' ' 269' ' ' GLU . 2.0 mp0 -39.97 -55.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.454 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . 0.702 ' CH2' ' HB3' ' B' ' 200' ' ' ALA . 5.7 m0 -82.33 -41.17 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.509 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -53.52 -51.89 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.513 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.985 HG23 HD21 ' B' ' 258' ' ' LEU . 7.2 p -57.54 -39.77 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.651 ' NZ ' ' O ' ' B' ' 193' ' ' LEU . 4.8 ttmt -67.75 -42.68 81.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . 0.544 HG23 ' O ' ' B' ' 270' ' ' TRP . 72.2 p -64.85 -47.96 76.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.515 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.613 HG11 ' CD1' ' B' ' 258' ' ' LEU . 56.0 t -55.63 -47.84 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.442 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.531 HD13 ' O ' ' B' ' 272' ' ' VAL . 1.2 mp -63.73 -38.42 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.577 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 80.0 tt0 -65.58 -42.78 91.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.391 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -62.35 -36.59 82.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.396 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . 0.504 ' CE2' ' NH1' ' B' ' 253' ' ' ARG . 1.5 m-85 -71.42 -35.22 70.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.446 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -51.19 -41.8 60.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.456 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.577 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 4.6 mp0 -69.29 -36.98 77.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -66.11 -40.72 90.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 53' ' ' LEU . 5.1 m-85 -65.86 -39.2 90.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -66.83 -44.85 80.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -38.38 -32.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.663 ' O ' ' HD2' ' B' ' 292' ' ' LYS . 39.0 tp -65.2 142.24 58.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.607 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 43.2 t -92.16 -39.0 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.712 ' O ' ' HB3' ' B' ' 292' ' ' LYS . 9.3 t70 -60.26 105.26 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -69.61 -23.2 63.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.95 -22.47 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' B' ' 294' ' ' ARG . 0.1 OUTLIER -138.33 -39.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.55 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.712 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -39.52 -46.44 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.545 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . 0.482 ' N ' ' HG2' ' B' ' 292' ' ' LYS . 8.8 tm-20 -46.72 -24.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.524 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 291' ' ' LEU . 68.8 mmt-85 -40.12 -29.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -46.79 -50.23 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.47 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -52.05 -42.35 54.42 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.518 ' OD2' ' NE2' ' B' ' 356' ' ' GLN . 63.0 m-20 -64.0 -40.33 96.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.46 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . 0.447 ' O ' HD12 ' B' ' 298' ' ' LEU . 12.5 tp -56.43 -50.14 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.398 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -49.96 -43.95 50.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.385 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.414 ' HB3' HG21 ' B' ' 333' ' ' THR . . . -63.41 -39.15 93.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.435 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.725 HD21 ' HB3' ' B' ' 249' ' ' LEU . 11.5 tp -59.73 -43.69 94.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.312 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.06 99.41 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.3 -40.19 81.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 0.0 110.396 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 5.8 mmm-85 -66.36 -40.24 89.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 36.0 mt -67.69 -36.89 81.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -44.19 91.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.452 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -72.53 -38.53 68.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.5 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 63.6 m-70 -70.54 -24.2 62.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.449 HD12 ' OE2' ' B' ' 269' ' ' GLU . 0.5 OUTLIER -64.31 -11.38 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.504 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.515 ' C ' ' H ' ' B' ' 312' ' ' ALA . 2.2 m-20 -134.56 104.16 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.532 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -59.9 0.75 0.13 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' B' ' 310' ' ' ASP . . . -91.83 -4.11 55.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -138.35 126.71 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 179.35 -127.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 68.6 158.81 1.46 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' B' ' 317' ' ' ASN . 53.4 Cg_exo -47.37 -17.35 0.55 Allowed 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 122.822 2.348 . . . . 0.0 112.104 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . 0.75 ' O ' ' HB2' ' B' ' 318' ' ' ALA . 0.2 OUTLIER 85.24 -24.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' B' ' 317' ' ' ASN . . . 154.06 101.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.592 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.848 ' HE1' ' HE ' ' B' ' 342' ' ' ARG . 3.0 t90 -107.99 83.62 1.83 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 0.583 ' HG2' ' CE2' ' B' ' 323' ' ' PHE . 47.4 Cg_endo -72.59 -173.18 1.09 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.747 2.298 . . . . 0.0 112.095 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' B' ' 322' ' ' ARG . 4.3 mp0 -92.1 -43.39 9.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.656 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 321' ' ' GLU . 0.1 OUTLIER -161.41 138.16 8.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.587 ' HA ' ' HB1' ' B' ' 183' ' ' ALA . 7.7 p90 177.52 177.84 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 1.8 pt -124.94 151.49 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.514 HD23 ' H ' ' B' ' 326' ' ' VAL . 0.5 OUTLIER -85.39 135.5 33.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.59 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.699 HG13 ' O ' ' B' ' 326' ' ' VAL . 7.2 p -124.16 97.21 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.594 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.691 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -129.94 152.62 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 42.9 p-10 -60.08 -29.09 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.47 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 0.0 OUTLIER -146.02 133.89 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.579 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' B' ' 330' ' ' LEU . 12.9 tp -66.47 112.26 3.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 57.9 m -111.23 118.05 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.618 ' N ' ' HB2' ' B' ' 357' ' ' ALA . . . -53.68 -42.85 68.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.414 HG21 ' HB3' ' B' ' 300' ' ' ALA . 29.1 p -57.71 -41.32 81.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 86.7 m -58.99 -50.62 73.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.481 ' O ' HD23 ' B' ' 335' ' ' LEU . 1.8 tt -61.18 -38.78 87.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . 0.735 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -65.59 2.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' B' ' 335' ' ' LEU . 41.5 tt0 -104.57 -33.71 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.473 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 90.6 mt -103.45 150.21 37.8 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . 0.816 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 51.1 Cg_endo -72.81 130.58 15.9 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.813 2.342 . . . . 0.0 112.119 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' B' ' 343' ' ' LEU . 1.4 tm0? -65.59 -35.04 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.816 ' OD1' ' HB2' ' B' ' 339' ' ' PRO . 44.3 p-10 -48.13 -43.15 30.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.848 ' HE ' ' HE1' ' B' ' 319' ' ' TRP . 18.8 mmt180 -91.35 -8.15 48.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.642 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 344' ' ' VAL . 1.0 OUTLIER -109.7 120.13 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.908 HG13 ' H ' ' B' ' 345' ' ' GLY . 14.9 p -100.67 -66.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.665 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . 0.908 ' H ' HG13 ' B' ' 344' ' ' VAL . . . -128.72 -175.49 14.08 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 325' ' ' LEU . 0.2 OUTLIER -164.72 141.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.547 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . 0.677 HG22 HG23 ' B' ' 369' ' ' VAL . 19.7 t -113.31 124.63 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.691 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 11.2 m -111.01 161.52 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -100.1 1.79 42.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 352' ' ' ALA . 28.3 t0 -154.84 -93.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.633 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 17.58 50.16 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . 0.73 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -89.76 169.2 11.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.631 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 87.34 -154.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -107.73 47.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 69.3 m -54.09 150.15 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.593 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . 0.518 ' NE2' ' OD2' ' B' ' 297' ' ' ASP . 0.0 OUTLIER -48.31 -36.69 14.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.583 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . 0.618 ' HB2' ' N ' ' B' ' 332' ' ' ALA . . . -83.81 -20.97 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.676 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -84.29 -29.9 26.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 16.5 tt -84.25 -31.92 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . 0.549 ' CG ' ' N ' ' B' ' 361' ' ' VAL . 2.5 ptt? -74.4 -42.85 58.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.549 ' N ' ' CG ' ' B' ' 360' ' ' MET . 8.3 p -66.53 -42.83 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.533 ' N ' HG13 ' B' ' 361' ' ' VAL . 12.2 ttm-85 -59.46 -47.88 83.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -66.22 -24.84 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -29.4 66.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.534 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 89.55 28.7 18.56 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . 0.627 HG23 ' O ' ' B' ' 344' ' ' VAL . 1.2 mp -105.53 126.27 31.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.65 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.49 131.72 19.38 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.898 2.398 . . . . 0.0 112.11 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 5.7 m -149.76 141.14 23.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . 0.677 HG23 HG22 ' B' ' 347' ' ' VAL . 0.0 OUTLIER -137.83 151.55 25.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.465 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -136.55 168.97 18.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.626 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 94.84 -0.27 64.63 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -60.4 114.91 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.83 44.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 9.9 tt -125.69 148.65 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.632 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -88.5 147.67 40.31 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . 0.469 ' HA ' HD12 ' B' ' 379' ' ' LEU . 51.6 Cg_endo -72.82 -13.0 26.71 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.894 2.396 . . . . 0.0 112.132 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 89.5 p -55.44 -44.65 76.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.482 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 33.4 m -90.63 23.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' B' ' 380' ' ' HIS . 13.9 mt -116.45 -31.36 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.659 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER 16.85 -84.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.2 OUTLIER -137.46 21.22 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -62.14 167.97 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.599 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 24.2 m -87.58 128.05 35.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.471 HD12 ' O ' ' B' ' 394' ' ' LEU . 19.5 tp -136.16 118.97 16.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.505 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . 0.876 ' N ' HD12 ' B' ' 385' ' ' ILE . 2.7 mp -98.84 113.85 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.623 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 1.3 p -97.75 133.34 40.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.675 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.8 t0 -124.44 87.67 2.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -51.65 -44.11 54.02 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -52.54 23.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.333 . . . . 0.0 110.628 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . 0.546 ' NH1' ' OE2' ' B' ' 392' ' ' GLU . 6.9 mmm180 -103.43 7.35 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.468 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 40.39 47.6 3.68 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . 0.696 ' C ' HD23 ' B' ' 393' ' ' LEU . 6.2 mt-10 -114.65 153.45 30.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.593 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.696 HD23 ' C ' ' B' ' 392' ' ' GLU . 0.5 OUTLIER -127.28 109.65 12.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.54 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 22.5 mt -93.33 156.49 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.628 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.598 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 94.3 t -129.74 111.06 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' B' ' 395' ' ' VAL . 23.3 m-20 24.27 54.47 0.28 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.598 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 45.8 Cg_endo -71.87 160.95 46.43 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.78 2.32 . . . . 0.0 112.092 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -44.16 115.34 2.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -46.99 -29.0 7.87 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.769 2.312 . . . . 0.0 112.114 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . 0.615 HG13 ' N ' ' B' ' 401' ' ' LEU . 5.6 p -62.92 -48.08 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.603 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.615 ' N ' HG13 ' B' ' 400' ' ' VAL . 92.8 mt -57.61 -45.53 85.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.555 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.16 -35.96 76.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -48.89 79.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.548 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -36.45 81.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.631 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -50.97 -49.05 60.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . 0.416 ' OE1' HD11 ' B' ' 409' ' ' ILE . 0.4 OUTLIER -59.01 -37.67 77.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.495 ' HA ' ' OG ' ' B' ' 410' ' ' SER . 56.5 ttp180 -76.83 -25.92 53.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.12 -47.74 76.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.614 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . 0.545 ' HA ' HD11 ' B' ' 418' ' ' LEU . 19.5 pt -69.57 -40.76 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.592 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . 0.497 ' N ' HG13 ' B' ' 409' ' ' ILE . 59.7 p -63.72 -15.63 58.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.599 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -48.78 -70.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -177.85 -62.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.608 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . . . . . . . . . 11.2 mt -76.64 62.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.561 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 0.543 ' HB3' ' O ' ' B' ' 409' ' ' ILE . 11.9 pt-20 -80.1 23.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.607 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . 0.87 ' O ' ' O ' ' B' ' 416' ' ' SER . 79.1 mt -108.21 -93.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.87 ' O ' ' O ' ' B' ' 415' ' ' LEU . 82.0 p -24.52 -118.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.41 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . 0.545 ' O ' ' O ' ' B' ' 418' ' ' LEU . 0.1 OUTLIER -133.35 11.43 4.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.576 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . 0.545 HD11 ' HA ' ' B' ' 409' ' ' ILE . 23.0 mt 56.02 136.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -55.36 105.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.589 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.86 -174.66 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.56 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' B' ' 422' ' ' ASP . 3.2 t70 -63.71 -139.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.555 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' B' ' 421' ' ' ASP . 0.8 OUTLIER 56.77 122.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.58 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' B' ' 422' ' ' ASP . 18.5 m 32.97 38.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.648 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 422' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.585 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 3' ' ' VAL . 43.6 m -83.39 158.13 22.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER -132.56 118.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.648 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -125.61 172.36 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.657 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 6' ' ' THR . 15.4 tm0? -161.21 133.46 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.536 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.586 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 63.6 p -79.68 129.19 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.599 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.7 p -130.15 125.55 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.8 125.56 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.595 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.8 mt -88.64 104.66 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -83.25 59.37 4.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.636 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.7 m120 62.2 21.42 12.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -162.05 103.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 2.5 pp -65.91 -6.84 13.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.625 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.663 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 124.76 45.99 0.25 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' HIS . 6.6 tpt 71.0 70.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.557 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.749 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -39.53 148.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.525 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 86.3 33.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.775 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -167.75 -69.12 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.55 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.775 ' HD3' ' CB ' ' A' ' 18' ' ' ARG . 50.4 Cg_exo -49.24 -53.85 6.37 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.888 2.392 . . . . 0.0 112.109 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.508 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -62.7 -44.39 96.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.581 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -67.19 -42.28 84.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -62.05 -36.93 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.66 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.631 HD11 ' CG2' ' A' ' 79' ' ' VAL . 7.1 mt -50.32 -44.68 54.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.59 -37.52 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -74.59 -34.46 62.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.694 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.854 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 34.7 mt -68.44 -41.04 80.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.581 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.852 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 47.9 ttm -57.56 -28.8 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.578 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -86.33 -29.77 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.631 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.52 -24.19 44.01 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.854 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.7 p90 -120.39 136.79 54.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.759 0.314 . . . . 0.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.739 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 91.8 m-20 -78.96 109.96 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.548 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.794 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.8 147.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.75 127.77 43.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.816 ' O ' HD12 ' A' ' 35' ' ' LEU . 31.6 t -106.01 133.37 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.491 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 34' ' ' VAL . 6.3 mp -134.41 138.05 44.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.651 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -106.24 151.32 24.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.49 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.643 ' H ' HD12 ' A' ' 63' ' ' ILE . 52.8 mtt180 -148.41 133.35 18.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 63.0 m-80 -91.75 155.65 18.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.62 -28.99 23.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.586 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.75 -11.92 56.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.44 11.01 58.76 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 38' ' ' ASN . 44.4 p -83.92 117.49 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.735 0.303 . . . . 0.0 110.546 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' HG2' ' HE ' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -78.24 103.08 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.568 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.1 65.45 7.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.52 ' CD ' HD21 ' A' ' 47' ' ' ASN . 6.8 tt0 -41.12 120.68 1.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.76 -8.77 7.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.432 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.52 HD21 ' CD ' ' A' ' 45' ' ' GLU . 51.7 p30 -100.56 27.03 6.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.531 ' OG ' ' NE ' ' B' ' 253' ' ' ARG . 0.3 OUTLIER -145.72 123.75 12.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.601 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.446 HG11 HD12 ' B' ' 248' ' ' LEU . 17.1 m -63.62 -35.43 72.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 51' ' ' ALA . 12.4 tt -61.46 -36.9 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.96 -42.67 89.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.508 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 6.5 mp -58.3 -38.42 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' B' ' 291' ' ' LEU . 52.6 mt -65.2 -36.39 84.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.465 ' HA ' HD11 ' B' ' 286' ' ' LEU . 53.0 ttm -68.43 -36.55 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.1 mt -63.23 -35.18 79.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.487 ' OD2' HD22 ' B' ' 291' ' ' LEU . 74.1 m-20 -53.08 -34.66 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.6 p -76.79 -6.58 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.89 28.59 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.524 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -68.57 97.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.6 4.93 39.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.2 165.42 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -98.71 142.21 30.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.643 HD12 ' H ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -129.56 162.27 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -124.9 101.31 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 5' ' ' GLN . 4.0 m -80.83 130.16 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -122.03 140.15 52.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.68 130.7 26.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.647 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.463 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.5 t -121.39 141.14 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.44 -176.54 19.58 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.08 -37.05 3.73 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.788 2.325 . . . . 0.0 112.129 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 74' ' ' GLU . 5.1 mm100 -97.81 3.01 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.42 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 71' ' ' GLN . 18.4 pt-20 -35.46 -42.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.529 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 41.0 tp10 -58.17 -49.48 76.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 71' ' ' GLN . 68.9 mm-40 -58.93 -50.45 74.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.07 77.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -44.21 90.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.38 99.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.51 98.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.631 ' CG2' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -66.49 -43.12 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.623 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.531 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -64.05 -41.81 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.58 -35.68 81.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.554 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 82' ' ' LEU . 1.3 mm? -73.43 -36.57 65.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.3 m-85 -71.12 -32.31 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 85' ' ' SER . 35.8 m-80 -81.85 -4.62 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.5 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.548 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.75 137.15 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.717 ' HE ' ' N ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -87.34 111.99 21.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -115.77 157.08 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.61 ' CD2' ' N ' ' B' ' 174' ' ' LEU . 2.6 mm? -77.51 117.4 65.3 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.557 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.27 111.94 3.32 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.906 2.404 . . . . 0.0 112.102 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -88.88 -32.1 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.543 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -143.85 103.78 4.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.662 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.11 139.14 15.7 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.923 2.415 . . . . 0.0 112.14 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 141.49 164.7 10.1 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . 0.41 HG12 ' N ' ' B' ' 181' ' ' ALA . 98.3 t -110.57 153.38 12.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.349 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . 0.41 ' N ' HG12 ' B' ' 180' ' ' VAL . . . -155.69 129.46 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.604 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . 0.498 HG23 ' O ' ' B' ' 182' ' ' ILE . 14.1 tt -123.49 121.92 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.525 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . -174.71 174.21 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -83.51 150.49 25.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.626 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.536 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -78.37 141.43 24.84 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -144.52 120.36 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' B' ' 189' ' ' ALA . 46.9 tt0 -118.25 142.2 47.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.515 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' B' ' 188' ' ' ASP . 54.2 t0 -62.68 74.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.647 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' B' ' 187' ' ' GLN . . . -107.41 65.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.464 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 75.6 p -91.37 178.17 6.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.66 131.76 94.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.508 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.85 73.0 3.09 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.0 -25.12 57.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 78.3 mtm -65.96 -37.63 86.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.618 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -79.39 -2.74 43.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -102.3 3.02 37.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.526 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.514 HG12 ' N ' ' B' ' 198' ' ' TYR . 96.0 t -86.45 158.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.611 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . 0.514 ' N ' HG12 ' B' ' 197' ' ' VAL . 46.2 p90 -150.59 167.3 27.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.556 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 9.0 pm0 -95.28 147.59 23.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -156.47 147.85 22.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.562 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 94.8 p -117.83 94.21 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.646 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 87.4 m -151.63 102.96 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.682 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 0.617 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 7.6 mp -43.46 116.51 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.688 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 83.7 m-20 -151.2 44.39 0.29 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.543 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.688 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 58.5 Cg_exo -46.72 -49.25 12.5 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.736 2.291 . . . . 0.0 112.102 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -52.87 -56.35 16.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -44.37 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.588 ' HB3' HG11 ' B' ' 262' ' ' VAL . 0.0 OUTLIER -61.46 -54.4 43.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.604 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -53.61 -48.28 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.439 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . 0.446 ' HA ' ' OG1' ' B' ' 213' ' ' THR . 4.9 mt-10 -64.66 -35.63 81.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.466 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -54.38 -47.12 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -50.25 49.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . 0.446 ' OG1' ' HA ' ' B' ' 210' ' ' GLU . 68.1 p -56.14 -52.25 65.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.19 -35.97 92.31 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -74.9 -41.05 60.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' B' ' 220' ' ' ALA . 10.3 tp -58.01 -49.75 75.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.995 ' O ' ' HB3' ' B' ' 221' ' ' ASN . 40.8 mm-40 -55.58 -33.97 64.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.59 ' O ' ' CB ' ' B' ' 222' ' ' GLU . 2.2 mt-10 -83.7 -25.3 30.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.449 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -92.87 -59.33 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.464 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.576 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.72 -50.5 70.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.545 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.995 ' HB3' ' O ' ' B' ' 217' ' ' GLU . 1.3 t30 -66.29 -34.1 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.59 ' CB ' ' O ' ' B' ' 218' ' ' GLU . 3.8 tm-20 -71.62 -35.06 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.474 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -77.45 -41.03 41.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.454 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -62.68 -40.59 97.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -72.6 -33.34 66.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.494 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -51.79 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.616 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . 0.641 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 64.1 p -64.79 -37.46 87.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.428 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -52.63 -36.7 57.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . 0.428 ' HD3' HH21 ' B' ' 229' ' ' ARG . 33.1 ttp-105 -78.42 -46.07 20.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' B' ' 234' ' ' ALA . 11.8 m-85 -52.17 -49.47 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -45.64 -38.7 6.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' B' ' 229' ' ' ARG . . . -51.85 -20.9 2.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . 0.74 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -143.64 -63.6 0.02 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.74 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -34.31 172.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.521 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.712 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 0.6 OUTLIER -82.88 168.65 16.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . 0.712 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 0.0 OUTLIER -60.02 -27.76 67.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.83 -52.24 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.621 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.424 ' OG1' ' SD ' ' B' ' 360' ' ' MET . 1.2 m -54.63 -57.75 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.561 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -51.9 -41.19 61.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.556 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.36 83.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.486 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.11 -50.87 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.534 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.641 ' HB2' ' HB3' ' B' ' 227' ' ' SER . 0.0 OUTLIER -52.81 -60.43 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.493 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.618 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 35.3 t0 -41.81 -41.29 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.498 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 9.0 tp -80.44 -37.5 31.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.605 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -62.57 -53.2 58.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 15.8 p -53.96 -42.92 69.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 15.6 t60 -71.59 -28.17 63.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.541 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 8.9 tt -74.01 -43.82 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.591 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.644 HD21 HD13 ' B' ' 301' ' ' LEU . 0.3 OUTLIER -77.9 -40.21 40.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . 0.412 ' HG ' ' HA ' ' B' ' 247' ' ' HIS . 77.1 p -70.0 -21.4 63.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.626 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.837 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 38.1 p-10 -51.02 127.65 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.503 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 9.5 t -61.27 4.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.569 ' H ' ' C ' ' B' ' 251' ' ' ASP . 85.9 mtt-85 -80.55 -40.01 26.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . 0.48 HD13 ' O ' ' B' ' 254' ' ' LEU . 0.1 OUTLIER -65.43 -45.85 82.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.639 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -43.4 93.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -60.61 -42.96 97.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.594 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -62.66 -50.11 72.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.703 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.477 ' CD1' HG12 ' B' ' 272' ' ' VAL . 2.2 tt -61.21 -58.41 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.691 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . 0.75 ' O ' HG22 ' B' ' 262' ' ' VAL . 89.4 t80 -52.17 -35.84 49.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.671 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.18 89.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.704 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.59 -45.93 77.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . 0.75 HG22 ' O ' ' B' ' 259' ' ' PHE . 1.3 m -66.02 -31.19 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.545 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -51.99 -19.76 2.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.55 -17.76 17.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.568 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 122.21 17.77 3.59 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 70.7 m -83.2 153.89 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . 0.545 HG13 ' H ' ' B' ' 270' ' ' TRP . 12.0 p -97.94 147.16 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.532 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.588 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -50.28 -46.6 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.412 ' H ' HG22 ' B' ' 267' ' ' VAL . 0.8 OUTLIER -41.74 -54.67 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.486 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . 0.545 ' H ' HG13 ' B' ' 267' ' ' VAL . 0.0 OUTLIER -81.23 -36.8 29.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.538 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.642 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -52.1 -53.0 47.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.581 HG22 ' O ' ' B' ' 268' ' ' ALA . 18.0 m -67.79 -31.9 54.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -73.65 -50.08 22.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . 0.496 ' OG1' ' CE3' ' B' ' 270' ' ' TRP . 11.6 m -65.41 -55.84 15.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.544 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 271' ' ' ALA . 94.0 t -47.51 -56.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.514 HD13 ' O ' ' B' ' 272' ' ' VAL . 1.5 mp -57.36 -43.38 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -63.09 -39.77 95.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.653 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -36.18 78.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -71.79 -32.71 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . 0.417 ' HB3' ' OE2' ' B' ' 281' ' ' GLU . . . -66.77 -35.5 80.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.505 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.489 ' N ' ' OE2' ' B' ' 281' ' ' GLU . 0.1 OUTLIER -72.5 -41.52 65.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.462 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -61.64 -41.95 98.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.519 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.547 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 5.5 m-30 -71.01 -35.72 72.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.93 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.565 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -43.98 -32.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.644 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 1.112 HD12 ' OD1' ' B' ' 288' ' ' ASP . 1.7 mm? -62.48 161.64 11.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.541 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 98.2 p -109.48 -22.41 12.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 1.112 ' OD1' HD12 ' B' ' 286' ' ' LEU . 2.2 p-10 -59.01 94.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . 0.422 ' HA ' ' HG3' ' B' ' 292' ' ' LYS . 2.7 m120 -65.64 -28.68 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.605 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . 0.621 ' C ' HD12 ' B' ' 291' ' ' LEU . 70.1 m-85 -58.5 -16.21 14.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.613 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.642 ' O ' ' N ' ' B' ' 294' ' ' ARG . 4.3 mp -144.45 -52.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.589 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.728 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -31.94 -39.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.425 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . 0.646 ' N ' ' HG3' ' B' ' 292' ' ' LYS . 7.2 tm-20 -55.1 -20.03 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.518 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.773 HH11 ' CG ' ' B' ' 297' ' ' ASP . 3.7 mmp_? -41.57 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.512 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -43.5 -47.24 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.502 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.44 -44.6 28.64 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.773 ' CG ' HH11 ' B' ' 294' ' ' ARG . 1.2 m-20 -63.06 -42.64 99.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . 0.424 HD13 HD23 ' B' ' 301' ' ' LEU . 3.1 mm? -53.5 -53.84 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . 0.403 HH21 ' HD2' ' B' ' 299' ' ' ARG . 7.3 mmm180 -55.22 -39.0 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.423 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.437 ' HB2' HG21 ' B' ' 333' ' ' THR . . . -66.37 -40.15 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.374 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.921 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.1 OUTLIER -54.39 -42.45 70.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.502 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . 0.581 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -62.87 -43.22 99.25 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.24 -42.44 98.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.386 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.652 ' O ' ' CD2' ' B' ' 308' ' ' HIS . 0.5 OUTLIER -69.26 -40.15 77.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.355 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 1.3 tp -68.52 -39.08 81.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.341 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.54 -43.17 97.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.466 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -64.79 -41.64 95.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.535 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.652 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 83.0 m-70 -73.52 -24.34 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.513 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.05 -21.28 64.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' B' ' 312' ' ' ALA . 58.0 m-20 -108.32 118.93 38.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -48.71 -9.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.686 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.582 ' O ' ' C ' ' B' ' 313' ' ' ASN . . . -62.06 -41.88 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.634 HD21 ' HA ' ' B' ' 308' ' ' HIS . 8.7 m120 22.08 -126.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . 0.634 ' HB3' ' O ' ' B' ' 313' ' ' ASN . 1.6 pt20 157.01 -49.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.528 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . 0.49 ' H ' ' HG2' ' B' ' 314' ' ' GLN . . . 162.98 -167.63 37.44 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.94 7.8 2.29 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.88 2.387 . . . . 0.0 112.032 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 51.85 86.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.586 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -151.68 114.71 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.794 ' CB ' ' CD ' ' B' ' 320' ' ' PRO . 0.1 OUTLIER -92.0 -164.67 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.488 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 0.794 ' CD ' ' CB ' ' B' ' 319' ' ' TRP . 52.3 Cg_exo -49.97 162.01 0.85 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.72 2.28 . . . . 0.0 112.066 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . 0.569 ' O ' ' OE1' ' B' ' 321' ' ' GLU . 2.6 pp20? -78.73 17.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.482 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.519 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.0 OUTLIER -132.97 103.68 6.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.578 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 5.2 m-85 -173.33 157.05 3.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.49 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.525 HG13 ' HB3' ' B' ' 183' ' ' ALA . 4.8 mt -117.37 151.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.553 HD13 ' N ' ' B' ' 326' ' ' VAL . 0.1 OUTLIER -97.64 126.56 43.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.565 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.553 ' N ' HD13 ' B' ' 325' ' ' LEU . 0.0 OUTLIER -129.34 96.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.515 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -130.36 158.06 40.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 17.8 p30 -73.87 -24.7 59.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.49 124.74 12.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.643 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.734 HD13 HG22 ' B' ' 348' ' ' VAL . 2.3 tp -75.98 122.01 23.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.637 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . 0.536 ' O ' ' OG1' ' B' ' 334' ' ' THR . 70.2 m -135.9 133.81 38.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.62 -44.17 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.642 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' B' ' 334' ' ' THR . 2.7 t -48.42 -44.11 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . 0.545 ' N ' ' CG2' ' B' ' 333' ' ' THR . 5.6 p -71.75 -51.27 23.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' B' ' 343' ' ' LEU . 0.1 OUTLIER -59.18 -34.05 71.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.502 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.26 8.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.566 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' B' ' 335' ' ' LEU . 0.7 OUTLIER -106.41 -32.43 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 3.0 mp -113.1 119.05 43.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.65 144.12 11.28 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.858 2.372 . . . . 0.0 112.087 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -60.29 -25.02 65.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -58.95 -45.25 90.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.493 HH11 ' CG ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -77.46 -7.46 56.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.624 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.576 ' CD1' HD21 ' B' ' 335' ' ' LEU . 5.1 tt -100.6 100.43 11.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 28.1 m -110.76 8.39 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.679 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -176.95 151.09 10.79 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.6 142.45 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . 0.475 HG13 HG12 ' B' ' 326' ' ' VAL . 0.5 OUTLIER -149.27 110.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.595 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.734 HG22 HD13 ' B' ' 330' ' ' LEU . 0.2 OUTLIER -110.0 154.46 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.577 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . 0.46 HH21 ' HD3' ' B' ' 349' ' ' ARG . 36.9 mtp-105 -89.86 -32.53 16.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.638 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' B' ' 351' ' ' GLY . 10.7 t70 -132.77 -120.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.629 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 25.39 75.78 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . 0.778 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -116.54 178.92 4.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.803 0.335 . . . . 0.0 110.451 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 94.08 -141.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.555 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . 0.459 ' HB3' HD11 ' B' ' 359' ' ' ILE . 11.0 m120 -95.24 62.05 2.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.74 144.61 41.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.39 -55.58 8.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.82 -32.02 67.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.444 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.84 92.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.487 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' B' ' 354' ' ' ASN . 79.7 mt -76.03 -29.53 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.471 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . 0.424 ' SD ' ' OG1' ' B' ' 238' ' ' THR . 5.8 ttt -65.78 -55.58 16.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.501 HG23 ' N ' ' B' ' 362' ' ' ARG . 35.8 m -59.08 -42.58 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.501 ' N ' HG23 ' B' ' 361' ' ' VAL . 5.6 ttm-85 -58.82 -55.39 35.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.02 -30.12 70.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.519 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . 0.4 HD23 ' O ' ' B' ' 360' ' ' MET . 1.2 mm? -66.82 -31.54 72.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.575 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.52 27.74 19.02 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.61 130.78 22.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.939 0.4 . . . . 0.0 110.639 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.24 124.35 8.96 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.781 2.321 . . . . 0.0 112.167 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 53.8 m -141.75 142.37 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.643 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . 0.483 ' HB ' HG21 ' B' ' 386' ' ' VAL . 0.5 OUTLIER -136.01 146.42 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.608 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.465 ' O ' ' N ' ' B' ' 174' ' ' LEU . 1.7 mtp -134.02 163.16 30.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 93.03 5.56 63.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -58.52 110.57 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.473 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.28 31.74 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.6 tp -119.16 136.46 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.645 ' O ' HG22 ' B' ' 378' ' ' VAL . 3.7 mm100 -75.4 143.62 76.53 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -72.45 -23.05 20.72 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.805 2.337 . . . . 0.0 112.144 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 45.1 t -52.55 -40.27 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.657 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . 0.645 HG22 ' O ' ' B' ' 375' ' ' GLN . 28.5 m -77.76 -31.08 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' B' ' 381' ' ' ARG . 72.7 mt -69.75 -37.28 76.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.536 ' O ' ' O ' ' B' ' 185' ' ' GLY . 3.1 t-80 31.84 -84.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.508 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.695 ' N ' ' O ' ' B' ' 379' ' ' LEU . 1.2 ptp85 -143.11 28.16 1.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.43 170.71 15.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.611 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . 0.664 HG22 ' CD1' ' B' ' 385' ' ' ILE . 77.5 m -75.6 124.41 27.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.63 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.614 HD11 HD11 ' B' ' 393' ' ' LEU . 7.5 tp -124.94 112.39 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.481 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . 0.715 HG22 ' O ' ' B' ' 385' ' ' ILE . 1.8 mp -111.57 90.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.622 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . 0.483 HG21 ' HB ' ' B' ' 369' ' ' VAL . 7.4 p -82.79 156.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.4 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.715 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.3 t0 -136.04 90.0 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.82 -46.63 31.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -50.95 -40.1 56.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.781 0.324 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . 0.476 ' O ' ' HG3' ' B' ' 392' ' ' GLU . 0.5 OUTLIER -114.39 11.57 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.526 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 34.35 46.68 0.54 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' B' ' 390' ' ' ARG . 46.7 mt-10 -112.46 151.45 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.574 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.614 HD11 HD11 ' B' ' 384' ' ' LEU . 4.3 tt -126.32 117.9 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.565 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 79.7 mt -105.76 153.28 22.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.581 ' O ' ' C ' ' B' ' 396' ' ' ASP . 0.0 OUTLIER -126.36 107.44 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.581 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.0 OUTLIER 24.65 55.45 0.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.565 ' HG3' ' HB3' ' B' ' 394' ' ' LEU . 43.6 Cg_endo -71.48 166.42 29.42 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.762 2.308 . . . . 0.0 112.068 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -48.47 158.26 0.63 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -70.88 -16.54 32.83 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.927 2.418 . . . . 0.0 111.983 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 401' ' ' LEU . 33.2 m -77.91 -37.32 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.428 ' N ' HG23 ' B' ' 400' ' ' VAL . 1.1 tp -59.06 -50.51 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.58 -34.74 78.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -61.15 -56.6 18.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . 0.477 ' OE2' ' NH1' ' B' ' 407' ' ' ARG . 19.3 mm-40 -63.18 -31.85 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.489 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -50.65 -49.58 56.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -61.32 -39.19 89.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.477 ' NH1' ' OE2' ' B' ' 404' ' ' GLU . 20.1 mtm180 -75.39 -29.58 59.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.562 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' B' ' 404' ' ' GLU . 16.8 tp -61.43 -47.95 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 7.2 mm -63.31 -39.66 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . 0.507 ' C ' ' H ' ' B' ' 412' ' ' GLU . 89.9 p -74.94 -17.41 60.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' B' ' 412' ' ' GLU . 15.3 tt0 -73.36 34.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.551 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 1.098 ' O ' ' N ' ' B' ' 414' ' ' GLU . 23.2 tt0 86.33 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.628 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 1.094 HG23 ' O ' ' B' ' 413' ' ' ILE . 0.2 OUTLIER -22.98 62.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.541 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 1.098 ' N ' ' O ' ' B' ' 412' ' ' GLU . 69.3 tt0 -134.44 105.5 6.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . 0.985 ' C ' HD22 ' B' ' 415' ' ' LEU . 0.0 OUTLIER -42.59 -17.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.895 ' N ' HD22 ' B' ' 415' ' ' LEU . 48.4 m -76.14 -43.48 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' B' ' 414' ' ' GLU . 0.0 OUTLIER -94.7 -42.51 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 25.2 tp -171.18 117.44 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . 0.527 ' HB2' ' HA ' ' B' ' 415' ' ' LEU . . . -92.85 119.61 32.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.72 53.53 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.6 164.48 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.622 ' N ' ' OD1' ' B' ' 422' ' ' ASP . 4.0 p-10 -175.56 -82.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . 0.513 ' H ' ' CG ' ' B' ' 422' ' ' ASP . 8.9 p -93.31 128.45 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.597 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 58.0 t30 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.9 -1.047 . . . . 0.0 110.516 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.4 p -83.3 158.65 22.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.596 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.6 t -132.29 119.87 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -127.28 172.31 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.633 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -162.41 133.49 5.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.5 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' OE1' ' A' ' 62' ' ' GLN . 86.1 m -78.62 129.58 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.712 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.508 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 16.4 m -130.52 123.59 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.424 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 24.1 pt-20 -80.46 128.02 33.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.644 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.8 mm -91.51 105.72 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.479 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 1.066 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 47.0 p -83.59 56.84 3.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.636 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 1.066 ' OD1' ' C ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 64.66 20.62 12.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -161.38 103.35 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -2.39 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.586 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.678 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 115.11 31.59 2.02 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.678 ' CB ' ' O ' ' A' ' 14' ' ' GLY . 7.9 tpt 94.88 49.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.83 0.348 . . . . 0.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.727 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 21.3 p80 -31.01 91.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 158.49 -31.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.918 ' H ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -109.2 -42.03 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.537 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.918 ' HD2' ' H ' ' A' ' 18' ' ' ARG . 34.1 Cg_endo -67.58 -50.11 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.767 2.311 . . . . 0.0 112.131 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.591 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -63.87 -39.89 95.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.519 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.647 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -74.56 -42.06 59.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.687 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 17.2 mtpp -59.71 -38.53 81.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.587 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.429 HD21 HG11 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -48.82 -46.07 41.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.69 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -56.37 -38.51 71.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -74.19 -33.99 63.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.915 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 68.5 mt -69.99 -38.6 76.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.712 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.857 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 24.0 ttp -60.05 -27.23 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.573 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -87.68 -30.05 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.718 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.79 -27.78 37.15 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.915 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.9 p90 -117.23 138.84 51.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.75 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 16.5 m-20 -80.35 111.7 16.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.454 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 155.64 148.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.529 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.73 ' OE1' HD13 ' A' ' 35' ' ' LEU . 5.3 tm-20 -98.32 127.45 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.692 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.539 ' O ' HD12 ' A' ' 35' ' ' LEU . 22.1 t -105.45 134.62 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.487 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.73 HD13 ' OE1' ' A' ' 33' ' ' GLU . 1.1 mp -135.78 136.17 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.693 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.878 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.5 mm? -105.34 150.55 25.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.42 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.709 ' O ' HG23 ' A' ' 63' ' ' ILE . 2.9 mtt180 -147.29 134.07 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.828 HD21 ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -91.97 154.61 18.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 42.9 p-10 -51.78 -28.49 15.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.608 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 19.5 mt-10 -67.35 -10.87 55.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.592 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.37 11.3 59.8 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.22 117.35 23.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.702 0.287 . . . . 0.0 110.568 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.55 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -78.28 102.49 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.642 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -88.58 65.75 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -41.21 120.94 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.737 ' HB2' HD21 ' A' ' 36' ' ' LEU . . . -62.67 -10.32 12.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.471 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 54.7 p30 -99.58 27.56 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.6 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -145.52 123.1 11.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.755 HG21 HD23 ' B' ' 248' ' ' LEU . 1.6 m -63.0 -36.74 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.419 HG22 ' CE1' ' B' ' 283' ' ' PHE . 11.6 pt -60.82 -37.08 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.62 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.642 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.07 -43.19 93.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.535 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.591 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 6.3 mp -57.96 -39.02 77.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.62 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.753 ' HG ' HD12 ' B' ' 291' ' ' LEU . 3.8 mp -64.64 -36.45 84.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.598 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.1 ttm -68.43 -36.51 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.62 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.532 HD23 ' ND2' ' A' ' 38' ' ' ASN . 67.0 mt -63.37 -34.89 78.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.438 ' OD2' ' HG ' ' B' ' 291' ' ' LEU . 8.1 m-20 -53.6 -34.32 58.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.647 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.515 ' O ' ' CZ ' ' A' ' 61' ' ' ARG . 59.6 p -76.84 -6.96 54.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.58 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.828 ' HB2' HD21 ' A' ' 38' ' ' ASN . . . -82.69 29.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -69.43 96.74 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.44 5.04 37.33 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.515 ' CZ ' ' O ' ' A' ' 57' ' ' SER . 38.9 mtt85 -105.97 165.14 11.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.542 ' OE1' HG23 ' A' ' 6' ' ' THR . 0.5 OUTLIER -96.61 144.86 26.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.709 HG23 ' O ' ' A' ' 37' ' ' ARG . 2.4 mt -131.56 160.49 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.588 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.563 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 8.9 mt-10 -123.85 101.6 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.507 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.785 HG22 HD12 ' A' ' 36' ' ' LEU . 48.1 t -81.35 128.52 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' OE2' ' C ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -120.3 139.47 52.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.06 131.75 28.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.576 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -122.66 143.95 49.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.66 -175.05 19.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 55.4 Cg_endo -74.13 -37.27 2.77 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.849 2.366 . . . . 0.0 112.058 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.868 ' CD ' ' HB2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -95.83 -0.38 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.723 ' CD ' ' H ' ' A' ' 73' ' ' GLU . 6.0 pm0 -32.16 -42.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.65 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.723 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 29.9 tt0 -58.06 -53.58 56.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.666 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.841 ' HB2' ' HG2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -56.58 -50.67 71.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.625 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.82 ' HB2' HE22 ' A' ' 71' ' ' GLN . . . -55.61 -48.73 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.71 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.091 ' O ' HG23 ' A' ' 80' ' ' ILE . 1.8 tt -66.65 -43.24 85.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.61 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.92 ' O ' HG13 ' A' ' 80' ' ' ILE . . . -62.05 -42.67 99.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.752 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.99 97.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.705 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 75' ' ' ALA . 59.5 t -67.43 -42.4 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.091 HG23 ' O ' ' A' ' 76' ' ' LEU . 1.3 pp -65.62 -39.05 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.671 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.532 ' N ' HD12 ' A' ' 80' ' ' ILE . . . -66.45 -35.83 81.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.677 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -73.39 -37.65 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.581 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -73.73 -23.4 59.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.544 ' O ' ' OD1' ' A' ' 84' ' ' ASN . 29.3 t-20 -88.62 -6.7 57.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.1 p . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.627 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 97.5 mt -121.33 137.74 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -88.63 111.65 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.605 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -112.54 155.45 24.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' B' ' 370' ' ' MET . 38.6 mt -74.49 115.44 43.57 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . 0.568 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 43.4 Cg_endo -71.4 111.32 3.07 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.785 2.323 . . . . 0.0 112.134 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -98.08 -41.3 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.643 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -129.2 100.96 19.71 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.548 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -47.4 143.45 11.35 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.829 2.353 . . . . 0.0 112.087 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 141.79 157.82 7.31 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.62 140.73 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.37 . . . . 0.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' B' ' 344' ' ' VAL . . . -152.5 147.19 25.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . 1.047 ' H ' HD13 ' B' ' 182' ' ' ILE . 0.2 OUTLIER -128.77 139.06 52.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 174.38 176.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.52 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . 0.431 ' OE1' ' CG ' ' B' ' 381' ' ' ARG . 2.1 mt-10 -77.32 159.36 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.423 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.695 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -92.62 142.52 16.04 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -157.57 121.5 4.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.613 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -108.01 132.02 53.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.582 ' OD1' HG23 ' B' ' 190' ' ' THR . 68.5 t0 -84.97 74.56 10.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.604 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.612 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -95.73 16.93 16.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.505 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . 0.612 ' C ' ' O ' ' B' ' 189' ' ' ALA . 16.7 p -19.49 117.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.482 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' B' ' 193' ' ' LEU . 3.0 mt -39.33 105.12 0.34 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.728 ' O ' ' N ' ' B' ' 194' ' ' MET . 52.5 Cg_exo -48.01 83.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.818 2.345 . . . . 0.0 112.065 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' B' ' 191' ' ' LEU . 0.3 OUTLIER -40.46 -11.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . 0.728 ' N ' ' O ' ' B' ' 192' ' ' PRO . 5.6 tmm? -58.86 -39.75 82.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -95.12 4.16 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -104.12 -32.31 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.595 ' O ' ' CD1' ' B' ' 198' ' ' TYR . 10.0 p -57.75 150.77 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.586 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' B' ' 197' ' ' VAL . 3.9 m-85 -172.75 79.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.3 175.05 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.465 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -83.9 -168.58 2.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.59 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 68.8 m -132.9 99.89 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . 0.585 HG23 ' OD1' ' B' ' 204' ' ' ASP . 13.2 t -156.44 140.7 16.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.555 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.46 130.3 23.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.703 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.9 OUTLIER -150.19 49.08 0.59 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.625 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 56.9 Cg_exo -46.92 -33.47 14.49 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.824 2.349 . . . . 0.0 112.093 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -79.19 -61.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . 0.505 HD12 ' OD2' ' B' ' 204' ' ' ASP . 47.6 mt -63.94 -42.13 97.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.703 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 1.5 tp10 -63.29 -61.17 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 33.7 ttp180 -54.23 -46.05 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -66.17 -36.48 83.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.524 ' NH1' ' OE1' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -55.47 -45.1 76.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 3.8 tp -66.35 -51.85 52.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 39.9 p -52.08 -47.85 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.549 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.77 85.31 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . 0.435 ' HB2' HD22 ' B' ' 309' ' ' LEU . . . -74.25 -42.95 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.712 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.5 OUTLIER -58.2 -45.34 87.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.691 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.42 -21.65 64.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.626 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' B' ' 222' ' ' GLU . 1.0 OUTLIER -94.82 -31.89 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.58 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.34 -46.93 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -59.31 -51.37 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -70.07 -28.5 65.48 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.613 ' OE2' ' CD2' ' B' ' 226' ' ' TYR . 1.5 tm-20 -70.33 -43.33 70.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.48 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . 0.627 ' CZ ' ' NH1' ' B' ' 304' ' ' ARG . 0.6 OUTLIER -70.73 -35.93 72.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.406 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' B' ' 228' ' ' LYS . 67.8 mtp180 -63.75 -48.95 74.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.572 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -73.33 -39.38 65.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.466 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.613 ' CD2' ' OE2' ' B' ' 222' ' ' GLU . 4.6 m-30 -52.27 -59.46 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . 0.745 ' OG ' ' HB2' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -67.15 -49.6 64.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' B' ' 224' ' ' ARG . 25.5 tptt -37.79 -54.07 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' B' ' 232' ' ' ALA . 95.6 mtm-85 -63.04 -46.21 88.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.611 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.647 ' O ' ' N ' ' B' ' 234' ' ' ALA . 4.3 m-85 -52.35 -51.91 56.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.483 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -54.45 -41.41 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.453 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 229' ' ' ARG . . . -53.62 -17.08 1.88 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -129.04 -23.19 1.17 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.647 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -95.19 -157.32 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.659 ' HG3' ' H ' ' B' ' 237' ' ' GLU . 4.5 pt20 -99.13 177.34 5.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.515 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -61.74 -39.08 90.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.659 ' H ' ' HG3' ' B' ' 235' ' ' GLN . 55.8 tt0 -42.16 -46.49 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.526 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -61.99 2.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . 0.658 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -53.95 -40.39 66.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.486 ' HB2' HH11 ' A' ' 18' ' ' ARG . . . -59.49 -37.81 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.637 HD13 ' O ' ' B' ' 237' ' ' GLU . 1.2 mp -60.28 -56.47 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.65 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.745 ' HB2' ' OG ' ' B' ' 227' ' ' SER . 0.0 OUTLIER -53.61 -55.81 22.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.458 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.735 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 65.3 t0 -38.55 -43.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 0.561 HD12 ' O ' ' B' ' 244' ' ' LEU . 12.8 tp -74.81 -38.75 62.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.589 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' B' ' 242' ' ' PHE . 10.7 m-30 -62.5 -53.1 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.527 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . 0.558 ' O ' ' OG ' ' B' ' 250' ' ' SER . 31.1 t -49.61 -46.46 49.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' B' ' 251' ' ' ASP . 1.6 t60 -72.37 -27.56 62.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.581 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.928 HD13 ' C ' ' B' ' 248' ' ' LEU . 2.0 tm? -69.88 -50.72 39.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.643 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.643 ' N ' HD13 ' B' ' 248' ' ' LEU . 3.1 tp -78.93 -42.94 25.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.505 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . 0.558 ' OG ' ' O ' ' B' ' 246' ' ' SER . 51.8 p -70.37 -13.43 62.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.614 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.639 ' HB2' ' O ' ' B' ' 247' ' ' HIS . 66.3 t0 -47.88 116.63 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 80.3 p -54.89 -15.77 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.534 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -49.33 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.645 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.28 -46.69 85.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.68 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.417 HH21 ' HD3' ' B' ' 255' ' ' ARG . 11.0 ttp180 -53.14 -55.59 22.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.696 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -38.32 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.606 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.93 -43.29 91.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.875 HD21 HG21 ' B' ' 275' ' ' VAL . 3.3 mm? -61.16 -51.45 68.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -60.93 -34.58 74.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.758 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.18 93.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.26 -35.47 81.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.723 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.0 -34.14 58.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -18.85 28.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.669 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -92.56 -23.06 19.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.576 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.42 13.96 3.73 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 47.5 t -87.86 154.08 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . 0.51 HG12 ' OE2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -100.13 154.02 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.549 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.671 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -59.17 -46.57 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.593 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.524 ' OE1' ' NH1' ' B' ' 211' ' ' ARG . 0.6 OUTLIER -43.15 -54.28 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.515 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -84.92 -34.66 22.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.48 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.782 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -52.55 -51.33 60.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.515 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.671 HG22 ' O ' ' B' ' 268' ' ' ALA . 34.4 m -60.91 -33.31 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -74.28 -49.32 23.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.532 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 20.9 p -59.14 -54.41 47.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.875 HG21 HD21 ' B' ' 258' ' ' LEU . 33.8 m -56.89 -51.78 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.666 ' N ' HG23 ' B' ' 275' ' ' VAL . 10.3 mm -59.27 -44.33 91.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.44 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 88.1 mt-10 -63.77 -42.69 97.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -38.79 91.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -74.2 -35.51 63.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.5 68.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 3.0 mp0 -68.89 -37.69 79.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.71 -40.65 95.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.565 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' B' ' 298' ' ' LEU . 7.9 m-85 -64.06 -44.23 93.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.511 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.25 77.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.614 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -43.89 -32.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.988 HD12 ' OD2' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -63.09 155.16 28.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.479 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . 0.415 ' O ' ' N ' ' B' ' 289' ' ' ASN . 37.2 m -89.87 -36.08 15.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.713 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.988 ' OD2' HD12 ' B' ' 286' ' ' LEU . 0.6 OUTLIER -50.88 93.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' B' ' 290' ' ' TYR . 0.1 OUTLIER -60.59 -39.31 87.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . 0.499 ' H ' ' ND2' ' B' ' 289' ' ' ASN . 15.2 t80 -58.27 -22.24 51.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.753 HD12 ' HG ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -117.26 -55.97 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.658 ' HB3' ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -35.09 -36.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.411 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' B' ' 292' ' ' LYS . 10.9 tm-20 -51.92 -33.46 37.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.464 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' B' ' 297' ' ' ASP . 0.9 OUTLIER -38.27 -35.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' B' ' 294' ' ' ARG . . . -35.83 -51.32 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.412 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -55.21 -40.1 73.84 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' B' ' 294' ' ' ARG . 96.5 m-20 -63.39 -47.75 80.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.831 0.348 . . . . 0.0 110.448 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -54.87 -51.06 67.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.355 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -59.96 -41.26 91.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.376 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.792 ' CB ' HG21 ' B' ' 333' ' ' THR . . . -62.53 -39.74 94.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.356 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.87 -42.43 99.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.289 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -54.34 -48.73 63.04 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . 0.575 ' HG2' ' N ' ' B' ' 304' ' ' ARG . 0.5 OUTLIER -55.58 -42.09 74.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.788 0.327 . . . . 0.0 110.358 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.627 ' NH1' ' CZ ' ' B' ' 223' ' ' PHE . 6.4 mmm-85 -65.47 -45.09 85.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.382 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -36.14 82.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.513 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 17.7 tp -67.31 -35.91 80.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . 0.871 ' CG ' ' NE2' ' B' ' 314' ' ' GLN . 3.1 m-85 -64.34 -43.23 95.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 79.2 m-70 -71.93 -29.12 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.514 ' HA ' HD22 ' B' ' 309' ' ' LEU . 0.2 OUTLIER -47.11 -20.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.617 ' O ' ' N ' ' B' ' 312' ' ' ALA . 0.5 OUTLIER -108.55 115.38 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -45.67 -8.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.664 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' B' ' 310' ' ' ASP . . . -82.16 -18.07 44.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.539 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' B' ' 314' ' ' GLN . 55.1 t30 62.21 -67.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . 0.871 ' NE2' ' CG ' ' B' ' 307' ' ' PHE . 0.3 OUTLIER 82.98 162.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.593 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 136.52 70.66 0.06 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.55 -16.25 21.53 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.77 2.313 . . . . 0.0 112.155 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -56.86 113.2 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . 0.437 ' C ' ' HD3' ' B' ' 320' ' ' PRO . . . -68.25 174.63 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.558 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -123.9 64.02 31.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 0.437 ' HD3' ' C ' ' B' ' 318' ' ' ALA . 62.2 Cg_exo -46.31 157.77 0.4 Allowed 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.864 2.376 . . . . 0.0 112.066 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 12.9 pm0 -79.21 -15.83 57.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.594 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.404 HH21 ' HD3' ' B' ' 322' ' ' ARG . 3.5 mtt180 -156.04 115.47 3.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.617 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.671 ' CE2' ' NE ' ' B' ' 342' ' ' ARG . 1.8 p90 -154.98 166.24 34.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.61 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.406 HG13 ' HB3' ' B' ' 183' ' ' ALA . 20.8 mt -119.64 138.32 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.577 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.506 HD23 ' N ' ' B' ' 326' ' ' VAL . 0.9 OUTLIER -83.44 122.1 28.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' B' ' 376' ' ' PRO . 42.1 t -123.14 90.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.62 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.505 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -125.18 147.63 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 18.5 p-10 -65.36 -30.07 70.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -139.89 125.8 19.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' B' ' 330' ' ' LEU . 18.8 tp -73.5 121.78 21.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.545 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 74.0 m -120.97 119.56 32.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.659 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.41 ' H ' ' HB2' ' B' ' 357' ' ' ALA . . . -58.56 -46.59 86.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.792 HG21 ' CB ' ' B' ' 300' ' ' ALA . 3.8 t -56.84 -36.92 70.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.612 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 59.8 m -68.26 -45.61 72.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.669 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.3 OUTLIER -51.86 -36.48 48.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.402 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -63.05 18.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.669 ' H ' ' C ' ' B' ' 335' ' ' LEU . 67.5 mt-10 -110.77 -48.09 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 20.1 mt -100.25 120.59 56.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . 0.521 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 52.3 Cg_exo -47.48 138.83 18.19 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.908 2.405 . . . . 0.0 112.203 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -10.38 50.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.548 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.734 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 12.1 p30 -66.61 -40.04 88.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.435 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.734 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 11.4 ptm180 -86.67 -16.11 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.574 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 37.8 tp -73.68 104.38 4.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 323' ' ' PHE . 33.7 m -120.22 27.99 3.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.505 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 151.87 154.95 6.8 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.409 ' CG2' ' N ' ' B' ' 347' ' ' VAL . 1.5 p -155.33 153.13 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.765 0.316 . . . . 0.0 110.54 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . 0.409 ' N ' ' CG2' ' B' ' 346' ' ' VAL . 12.9 m -148.32 140.27 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.614 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 35.0 m -132.07 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' B' ' 372' ' ' ALA . 6.5 ptm180 -117.99 1.56 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.892 ' O ' ' N ' ' B' ' 352' ' ' ALA . 1.3 t70 -143.38 -48.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -48.56 60.8 0.0 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . 0.892 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -42.08 157.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.546 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.49 ' HB1' HH12 ' B' ' 362' ' ' ARG . . . -70.58 31.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.452 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . 0.559 ' H ' ' C ' ' B' ' 352' ' ' ALA . 16.8 m120 -111.03 -13.42 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 96.5 p -80.1 152.32 29.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.504 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -61.21 -36.16 79.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . 0.41 ' HB2' ' H ' ' B' ' 332' ' ' ALA . . . -61.44 -43.19 99.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.588 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . 0.447 ' HA ' HD23 ' B' ' 330' ' ' LEU . . . -60.92 -39.87 91.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.1 mt -67.54 -36.94 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -62.83 -50.6 70.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.457 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.436 HG12 ' N ' ' B' ' 362' ' ' ARG . 0.9 OUTLIER -65.07 -44.0 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.49 HH12 ' HB1' ' B' ' 353' ' ' ALA . 6.9 ttm-85 -58.09 -45.53 87.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.402 ' HB3' ' OE1' ' B' ' 235' ' ' GLN . . . -69.61 -23.79 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' B' ' 364' ' ' LEU . 32.8 tp -69.75 -29.41 66.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.478 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 95.09 28.8 9.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . 0.414 HG13 HD23 ' B' ' 364' ' ' LEU . 41.5 mm -106.7 127.37 28.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.892 0.377 . . . . 0.0 110.644 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.26 125.29 10.26 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.934 2.423 . . . . 0.0 112.166 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . 0.406 HG23 HG13 ' B' ' 346' ' ' VAL . 8.1 m -141.44 134.41 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.62 152.57 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.629 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 1.7 tmm? -135.0 153.25 52.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 96.31 -7.26 66.38 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' B' ' 349' ' ' ARG . . . -49.28 109.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.303 . . . . 0.0 110.57 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 60.1 p30 -104.37 25.85 9.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.485 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.535 ' O ' HG23 ' B' ' 374' ' ' ILE . 10.5 tp -101.39 124.8 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.714 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -69.29 124.64 90.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . 0.558 ' HB3' HG11 ' B' ' 326' ' ' VAL . 51.4 Cg_endo -73.16 -7.99 21.38 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.842 2.361 . . . . 0.0 112.09 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 40.3 t -64.28 -35.92 82.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.511 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 58.2 t -82.07 -41.16 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.453 ' CA ' ' HB2' ' B' ' 382' ' ' ARG . 10.2 mp -78.85 -74.29 0.29 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.609 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.695 ' O ' ' O ' ' B' ' 185' ' ' GLY . 1.8 m-70 59.77 -104.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.599 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.431 ' CG ' ' OE1' ' B' ' 184' ' ' GLU . 32.4 ttt180 -78.35 -0.37 28.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.49 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . 0.453 ' HB2' ' CA ' ' B' ' 379' ' ' LEU . 1.7 mtt-85 -64.61 163.15 14.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.491 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.28 127.93 34.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.542 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.417 ' HG ' HD23 ' B' ' 379' ' ' LEU . 0.6 OUTLIER -130.13 109.06 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.439 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . 0.69 HG23 HG22 ' B' ' 182' ' ' ILE . 4.8 mp -100.97 110.95 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 1.5 p -97.4 146.16 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.395 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.69 ' O ' ' N ' ' B' ' 391' ' ' GLY . 66.4 t0 -135.1 82.07 1.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . 0.568 ' O ' ' HB3' ' B' ' 175' ' ' PRO . . . -47.74 -48.0 23.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . 0.563 ' CE2' HD12 ' B' ' 418' ' ' LEU . 27.2 t80 -39.52 -52.55 2.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.26 8.25 19.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.521 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 41.79 55.06 4.11 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.66 152.76 36.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.476 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 90.3 mt -121.48 125.77 47.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 16.1 mt -112.49 150.69 30.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 1.016 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 12.0 t -118.76 102.87 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.614 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.68 ' C ' ' O ' ' B' ' 395' ' ' VAL . 35.8 p-10 5.29 54.18 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.537 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 1.016 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 50.4 Cg_exo -48.27 -162.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.801 2.334 . . . . 0.0 112.072 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -68.27 120.67 76.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.461 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.05 -36.08 20.2 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.849 2.366 . . . . 0.0 112.152 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 3.7 m -72.97 -42.84 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -40.7 92.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.6 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -21.19 59.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.572 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -67.94 -54.24 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.79 -37.89 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.619 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -46.43 -51.09 15.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.674 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -31.63 72.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -79.72 -32.26 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -49.43 56.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.553 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 15.2 tt -65.78 -35.88 76.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.543 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 77.4 p -76.49 -16.23 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -63.35 -73.21 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.556 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 0.409 ' H ' ' H ' ' B' ' 413' ' ' ILE . 0.3 OUTLIER 171.16 11.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.615 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 0.969 ' O ' HG22 ' B' ' 413' ' ' ILE . 2.4 mp -75.51 55.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -123.38 111.78 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.566 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.68 -18.85 46.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.527 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.43 ' HB2' ' H ' ' B' ' 417' ' ' ARG . 0.9 OUTLIER -124.74 -80.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . 0.43 ' H ' ' HB2' ' B' ' 416' ' ' SER . 0.2 OUTLIER -139.39 -27.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.452 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' B' ' 419' ' ' ALA . 85.5 mt -140.65 -119.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.513 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' B' ' 418' ' ' LEU . . . 165.68 -80.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.536 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . 0.405 ' OE1' ' OD2' ' B' ' 387' ' ' ASP . 4.3 mt-10 54.23 64.04 1.96 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.608 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -145.13 -169.11 3.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.588 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' B' ' 423' ' ' VAL . 44.3 t0 -54.12 141.2 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.488 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . 0.512 ' N ' ' OD1' ' B' ' 422' ' ' ASP . 74.3 t -60.05 -57.37 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.619 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 67.1 t30 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.512 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.716 HG23 HG23 ' A' ' 68' ' ' THR . 0.1 OUTLIER -82.43 158.04 23.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -132.61 118.86 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 171.17 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -160.02 133.72 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.1 p -79.63 129.12 34.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.4 p -130.1 125.08 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 8' ' ' GLU . 1.4 pm0 -81.88 125.44 30.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.66 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.105 HG21 ' O ' ' A' ' 58' ' ' ALA . 17.8 tt -88.53 105.56 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.611 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.1 p -82.67 57.01 3.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.448 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.4 m120 63.57 23.19 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.4 103.3 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.977 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -66.85 -0.98 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.637 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.9 -76.61 0.26 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.456 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 30.8 mmm -134.03 -163.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.497 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.75 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -55.47 -23.95 28.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 154.57 0.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.533 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.595 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 21.2 mtt-85 -54.47 -45.62 99.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 50.8 Cg_exo -48.41 -49.75 13.76 Favored 'Trans proline' 0 C--N 1.303 -1.831 0 C-N-CA 122.916 2.411 . . . . 0.0 112.102 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.57 89.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.684 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -68.5 -42.56 78.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.684 ' N ' ' HG3' ' A' ' 21' ' ' MET . 7.0 tttp -63.44 -36.69 84.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD11 HG23 ' A' ' 79' ' ' VAL . 1.3 mp -49.37 -44.43 44.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 13.1 m-85 -58.24 -37.66 75.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -75.2 -34.62 61.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.606 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.889 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 4.0 mm? -68.32 -39.97 81.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.834 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 64.4 ttp -59.2 -28.34 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -86.53 -28.91 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.637 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.43 -25.62 38.84 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.889 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.8 p90 -119.04 138.02 53.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.733 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.4 m-20 -80.03 109.64 14.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.609 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.759 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 157.75 149.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.569 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 34' ' ' VAL . 9.4 tp10 -99.58 126.52 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.646 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' N ' ' OE2' ' A' ' 33' ' ' GLU . 40.8 t -104.0 134.94 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.497 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -136.15 136.53 40.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 46' ' ' ALA . 2.2 mp -107.89 149.61 28.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -147.31 134.67 20.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.714 HD21 HD12 ' A' ' 55' ' ' LEU . 6.3 m120 -91.03 155.91 18.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.76 -27.04 16.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 85.7 tt0 -68.5 -9.79 51.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.582 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.07 12.26 60.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.3 m -85.45 116.69 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.659 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 32.3 mp0 -77.59 103.63 7.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.633 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.67 65.24 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.582 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -40.78 121.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.519 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.572 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.66 -9.19 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -100.02 26.77 6.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.641 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 124.93 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.609 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.465 ' H ' HG23 ' A' ' 49' ' ' VAL . 2.3 t -64.78 -35.43 75.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.788 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -61.58 -35.63 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.615 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.633 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.02 -41.38 86.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.488 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 57.4 tp -59.39 -38.19 79.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.576 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.788 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -65.94 -34.85 79.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.483 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 2.1 tmt? -69.93 -35.54 74.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.63 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.714 HD12 HD21 ' A' ' 38' ' ' ASN . 26.9 tp -64.16 -35.54 81.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.611 ' OD2' HD23 ' B' ' 291' ' ' LEU . 5.2 m-20 -52.93 -35.24 58.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.2 m -76.22 -6.28 50.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.105 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -83.28 28.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -68.57 97.85 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.932 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 105.02 5.08 41.38 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 1.03 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -105.91 164.18 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.516 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -97.95 142.48 29.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.66 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -130.12 162.12 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.439 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.66 ' N ' HG13 ' A' ' 63' ' ' ILE . 99.1 mt-10 -123.4 102.31 7.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.546 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.17 127.38 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.557 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -120.1 139.78 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.616 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.47 ' HB2' HD23 ' A' ' 76' ' ' LEU . . . -137.99 131.83 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.716 HG23 HG23 ' A' ' 2' ' ' THR . 0.3 OUTLIER -124.34 128.7 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.83 161.49 8.77 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.0 -45.64 20.61 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.798 2.332 . . . . 0.0 112.117 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' GLU . 28.9 mm-40 -92.57 5.74 49.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 17.0 pt-20 -36.98 -37.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -64.5 -48.67 74.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.496 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -57.54 -52.08 66.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.83 -50.22 69.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.599 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.947 ' O ' HG12 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -64.14 -43.95 93.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.91 ' O ' HG13 ' A' ' 80' ' ' ILE . . . -62.58 -41.87 99.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.52 98.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.612 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.947 HG12 ' O ' ' A' ' 76' ' ' LEU . 3.4 p -65.99 -44.29 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.572 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.91 HG13 ' O ' ' A' ' 77' ' ' ALA . 1.6 pp -63.33 -41.55 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.91 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -73.6 -36.51 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.603 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.4 m-85 -69.37 -33.32 72.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.55 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.464 ' OD1' ' O ' ' A' ' 80' ' ' ILE . 18.4 m120 -82.18 -5.7 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.53 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 393' ' ' LEU . 5.9 tpm_? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 96.4 mt -122.89 130.35 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.601 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -76.09 136.81 39.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.476 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -141.33 156.9 45.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.697 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.23 114.12 28.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.81 107.35 2.32 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . 0.457 ' HB1' ' NH2' ' B' ' 362' ' ' ARG . . . -85.17 -39.67 17.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.478 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.518 ' HB3' ' H ' ' B' ' 368' ' ' THR . . . -139.48 133.97 16.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.05 141.91 37.34 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.779 2.32 . . . . 0.0 112.259 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 139.4 160.74 8.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.29 137.46 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.513 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -145.23 146.81 31.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.53 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 26.7 pt -132.88 134.07 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.572 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 177.48 172.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . 0.958 ' O ' HG22 ' B' ' 324' ' ' ILE . 2.5 mp0 -72.73 162.48 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.588 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -93.01 134.45 12.18 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -120.09 102.55 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.544 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . 0.549 ' H ' ' CD ' ' B' ' 187' ' ' GLN . 2.5 pm0 -68.8 143.9 54.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.59 ' CG ' ' OG1' ' B' ' 190' ' ' THR . 47.8 t0 -76.29 100.36 5.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -62.49 -34.24 76.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.538 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . 0.59 ' OG1' ' CG ' ' B' ' 188' ' ' ASP . 18.4 p -31.32 105.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.517 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 1.6 tt -132.98 115.77 14.33 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.799 ' O ' ' N ' ' B' ' 194' ' ' MET . 51.4 Cg_endo -72.98 74.47 2.91 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.751 2.301 . . . . 0.0 112.077 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' B' ' 196' ' ' GLN . 0.6 OUTLIER -42.54 -3.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . 0.799 ' N ' ' O ' ' B' ' 192' ' ' PRO . 0.0 OUTLIER -45.51 -27.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.629 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.17 -27.59 42.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.64 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' B' ' 193' ' ' LEU . 0.3 OUTLIER -95.34 8.9 41.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.55 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.54 HG23 ' CE3' ' B' ' 270' ' ' TRP . 9.8 p -36.18 153.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.559 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -137.5 138.54 39.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.607 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . 0.446 ' CA ' ' OE1' ' B' ' 199' ' ' GLN . 0.0 OUTLIER -70.28 138.99 52.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.685 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -147.37 117.63 7.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.59 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 33.2 t -78.57 88.75 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.25 91.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.661 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 0.853 HD23 ' N ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -100.29 153.36 19.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.911 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.1 OUTLIER -155.64 104.25 2.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -71.53 -17.11 30.37 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.869 2.379 . . . . 0.0 112.036 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -100.5 -49.1 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . 0.482 ' O ' ' CG ' ' B' ' 211' ' ' ARG . 1.0 OUTLIER -74.6 -31.3 61.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.455 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.911 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 65.3 mm-40 -75.86 -62.27 1.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . 0.48 ' CG ' ' CD1' ' B' ' 259' ' ' PHE . 0.0 OUTLIER -49.75 -55.71 12.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.449 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' B' ' 206' ' ' ALA . 70.4 mt-10 -57.55 -43.74 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.373 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.581 ' NH1' ' OE2' ' B' ' 269' ' ' GLU . 10.6 mtp180 -52.38 -40.13 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' B' ' 258' ' ' LEU . 1.1 mp -63.7 -48.31 77.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.595 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 62.1 m -56.41 -47.43 79.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.314 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.33 -38.69 96.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.81 -43.94 71.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.461 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.64 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.9 tt -60.32 -46.9 88.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.509 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.45 -32.5 68.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 222' ' ' GLU . 19.0 tp10 -79.67 -31.47 41.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.61 -45.88 8.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.64 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.17 -51.01 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.564 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -19.38 63.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.497 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.6 OUTLIER -66.6 -52.03 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.434 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . 0.81 ' CD1' ' N ' ' B' ' 224' ' ' ARG . 1.6 p90 -68.0 -40.0 83.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . 0.81 ' N ' ' CD1' ' B' ' 223' ' ' PHE . 10.4 ttp-105 -52.54 -50.07 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -74.41 -32.02 62.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.713 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.4 OUTLIER -62.57 -62.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.508 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . 0.724 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 90.1 p -55.54 -52.59 63.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.584 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -43.39 -37.11 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . 0.413 ' NH2' ' HB3' ' B' ' 229' ' ' ARG . 0.6 OUTLIER -68.93 -38.55 79.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 227' ' ' SER . 7.3 m-85 -66.51 -43.79 84.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.589 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -53.32 -37.48 62.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.557 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.35 -9.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.508 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . 0.975 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -165.9 -97.37 0.11 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.975 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . 8.15 -145.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 110.591 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.456 ' O ' ' OG1' ' B' ' 238' ' ' THR . 0.0 OUTLIER -107.4 151.61 25.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -62.24 -27.83 69.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -57.91 -45.36 86.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 38.6 p -52.89 -51.46 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -54.51 -41.07 69.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.69 -41.17 85.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.507 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' B' ' 241' ' ' ILE . 41.1 mm -61.63 -47.45 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.613 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.783 ' C ' ' CD1' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -56.9 -53.04 62.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.605 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.616 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 2.4 t0 -45.73 -44.51 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 0.558 ' O ' ' HG ' ' B' ' 248' ' ' LEU . 0.4 OUTLIER -75.96 -33.42 59.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.638 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.543 ' CE2' HD12 ' B' ' 249' ' ' LEU . 17.2 t80 -60.37 -41.46 93.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . 0.513 ' O ' ' OG ' ' B' ' 250' ' ' SER . 3.1 m -57.15 -41.34 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.782 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 4.9 m-70 -61.56 -30.89 70.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.537 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.615 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 5.8 mt -74.79 -55.18 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.527 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.543 HD12 ' CE2' ' B' ' 245' ' ' TYR . 2.9 mt -69.82 -42.97 72.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . 0.513 ' OG ' ' O ' ' B' ' 246' ' ' SER . 51.7 p -71.92 -18.02 62.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.913 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -55.85 108.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 1.6 m -57.78 -1.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.776 ' O ' ' HG3' ' B' ' 256' ' ' ARG . 0.0 OUTLIER -75.17 -39.66 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . 0.637 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 1.3 tp -67.73 -46.02 73.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.639 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -57.48 -48.22 79.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.677 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . 0.776 ' HG3' ' O ' ' B' ' 253' ' ' ARG . 5.4 ppt_? -66.82 -39.35 87.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' B' ' 256' ' ' ARG . 19.8 mm-40 -59.79 -51.78 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.586 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.503 ' CB ' HD21 ' B' ' 212' ' ' LEU . 4.8 mt -60.84 -47.63 85.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . 0.48 ' CD1' ' CG ' ' B' ' 209' ' ' ARG . 51.6 t80 -59.09 -36.04 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.11 84.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.649 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.54 -38.92 91.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.544 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.77 -42.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -13.44 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.552 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -24.17 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . 0.763 ' HA2' HD13 ' B' ' 203' ' ' LEU . . . 122.17 26.44 1.85 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 21.3 t -103.98 159.94 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.568 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 2.2 t -98.7 149.17 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.594 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.499 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -54.4 -45.53 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.581 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.581 ' OE2' ' NH1' ' B' ' 211' ' ' ARG . 19.4 mp0 -46.39 -43.9 16.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . 0.638 ' O ' ' HG3' ' B' ' 273' ' ' LYS . 2.8 m95 -86.19 -28.19 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.514 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -65.64 -46.91 77.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.517 HG23 ' N ' ' B' ' 273' ' ' LYS . 30.2 m -59.44 -42.64 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' B' ' 270' ' ' TRP . 0.0 OUTLIER -79.01 -44.18 22.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.595 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . 0.567 ' H ' ' HG3' ' B' ' 273' ' ' LYS . 76.4 m -59.77 -56.49 21.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.41 HG21 ' HA ' ' B' ' 258' ' ' LEU . 59.5 t -57.6 -49.06 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.573 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' B' ' 272' ' ' VAL . 7.3 mm -58.15 -42.74 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.508 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.429 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 35.6 mm-40 -63.66 -36.69 84.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . 0.411 ' CB ' ' NZ ' ' B' ' 278' ' ' LYS . 0.0 OUTLIER -64.31 -39.82 94.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . 0.673 ' CD2' ' NE2' ' B' ' 282' ' ' GLN . 9.0 m-85 -79.39 -26.53 41.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -62.41 -35.93 80.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.57 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 3.0 mp0 -77.68 -43.17 32.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . 0.673 ' NE2' ' CD2' ' B' ' 279' ' ' PHE . 3.9 pt20 -59.26 -29.86 67.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.474 ' CE2' ' HB3' ' B' ' 294' ' ' ARG . 0.2 OUTLIER -81.05 -34.1 33.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.587 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . 0.503 ' O ' ' NZ ' ' B' ' 292' ' ' LYS . . . -63.05 -37.34 86.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.446 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -52.0 -26.68 11.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 1.069 HD23 ' N ' ' B' ' 287' ' ' SER . 2.8 tt -47.82 132.82 14.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . 1.069 ' N ' HD23 ' B' ' 286' ' ' LEU . 96.8 p -82.24 -46.15 14.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.534 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.76 ' O ' HD22 ' B' ' 286' ' ' LEU . 0.0 OUTLIER -65.39 131.77 47.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.525 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . 0.402 ' HA ' ' HB3' ' B' ' 292' ' ' LYS . 0.0 OUTLIER -82.04 -20.41 38.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . 0.495 ' CB ' ' OD2' ' B' ' 288' ' ' ASP . 0.3 OUTLIER -59.54 -34.1 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.611 HD23 ' OD2' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -109.34 -37.59 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.612 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.718 ' N ' HD13 ' B' ' 286' ' ' LEU . 13.3 tttp -44.53 -42.9 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -29.03 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.45 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.481 ' NH2' HD11 ' B' ' 248' ' ' LEU . 2.2 ttm-85 -46.1 -33.98 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -44.57 -48.91 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.73 -42.44 28.44 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -66.63 -40.05 88.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.82 0.343 . . . . 0.0 110.442 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' B' ' 301' ' ' LEU . 0.1 OUTLIER -61.2 -56.08 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.462 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 49.8 ttp85 -53.63 -42.87 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.299 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -65.3 -36.92 85.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.512 HD13 ' OH ' ' B' ' 245' ' ' TYR . 14.5 tp -56.95 -44.06 82.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.393 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.6 -40.53 98.75 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -41.47 98.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.667 ' O ' ' ND1' ' B' ' 308' ' ' HIS . 1.6 mtp180 -67.18 -40.74 86.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.342 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -35.11 70.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.299 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.0 tp -66.59 -42.33 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.358 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . 0.653 ' CE2' ' ND2' ' B' ' 313' ' ' ASN . 8.7 m-85 -66.36 -40.83 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.667 ' ND1' ' O ' ' B' ' 304' ' ' ARG . 34.1 m170 -67.45 -25.56 65.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -5.5 42.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -133.71 83.07 2.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -52.77 -18.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.548 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -62.83 -30.83 71.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.619 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.653 ' ND2' ' CE2' ' B' ' 307' ' ' PHE . 16.5 t30 -81.27 -150.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . 0.588 ' H ' ' ND2' ' B' ' 313' ' ' ASN . 12.8 mp0 -107.0 122.8 47.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -49.82 -82.54 0.04 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -72.79 -87.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.816 2.344 . . . . 0.0 112.141 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' B' ' 318' ' ' ALA . 2.5 t30 -175.52 21.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.533 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' B' ' 317' ' ' ASN . . . 38.08 76.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.75 123.95 83.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 0.436 ' HG2' ' HB2' ' B' ' 323' ' ' PHE . 50.1 Cg_endo -72.8 -178.54 3.53 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.823 2.349 . . . . 0.0 112.065 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -75.09 -42.1 57.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.664 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 38.0 ttt180 -144.75 131.8 20.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.5 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.73 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 0.6 OUTLIER -179.1 160.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.561 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.958 HG22 ' O ' ' B' ' 184' ' ' GLU . 1.3 tt -111.52 147.01 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' B' ' 325' ' ' LEU . 22.9 tp -84.44 133.74 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.56 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 2.1 t -134.24 92.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -122.87 154.49 38.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.613 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 27.4 p-10 -61.93 -25.31 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.551 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.476 ' OE2' ' OG ' ' B' ' 331' ' ' SER . 2.8 pp20? -153.27 124.86 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.558 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.11 121.34 11.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . 0.476 ' OG ' ' OE2' ' B' ' 329' ' ' GLU . 2.5 m -120.28 128.58 53.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.7 82.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 10.1 p -62.77 -37.2 85.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.503 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 98.4 m -59.95 -51.34 70.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.513 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.503 HD11 HD22 ' B' ' 343' ' ' LEU . 3.0 tp -61.52 -30.84 70.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.548 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . 0.713 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -70.21 7.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.524 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' B' ' 335' ' ' LEU . 3.5 mm-40 -105.67 -30.5 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.45 121.66 33.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.36 149.43 4.21 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.848 2.366 . . . . 0.0 112.178 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . 0.454 ' OE1' HD23 ' B' ' 343' ' ' LEU . 2.3 tp-100 -65.1 -21.5 66.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.541 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.1 -42.76 99.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.633 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -76.7 -23.38 53.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.503 HD22 HD11 ' B' ' 335' ' ' LEU . 25.1 tp -73.53 113.69 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.541 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.537 HG12 ' O ' ' B' ' 344' ' ' VAL . 39.5 t -120.43 -0.65 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -178.52 166.25 36.0 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.484 ' HB ' HG23 ' B' ' 368' ' ' THR . 0.0 OUTLIER -146.8 142.86 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.339 . . . . 0.0 110.554 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' B' ' 386' ' ' VAL . 7.0 t -153.63 131.6 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 1.4 m -133.32 158.31 42.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.601 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 -89.99 -36.52 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' B' ' 351' ' ' GLY . 61.9 t0 -62.43 137.1 58.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.651 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.413 ' N ' ' OD1' ' B' ' 350' ' ' ASP . . . -89.23 50.32 3.61 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -109.5 110.59 21.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.718 0.294 . . . . 0.0 110.589 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -109.51 3.06 20.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -99.82 3.63 44.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.94 147.48 46.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -53.43 -38.85 63.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.548 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.22 -39.22 86.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.02 -41.47 78.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.538 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.401 HD12 ' N ' ' B' ' 359' ' ' ILE . 1.6 mp -77.06 -26.69 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 2.7 ttm -67.12 -50.91 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.591 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.513 HG23 ' N ' ' B' ' 362' ' ' ARG . 28.2 m -63.39 -42.37 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.513 ' N ' HG23 ' B' ' 361' ' ' VAL . 4.9 ttm-85 -61.27 -46.24 91.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.68 66.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.541 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' B' ' 364' ' ' LEU . 7.1 mt -67.71 -28.24 67.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.53 17.44 39.1 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . 0.768 HG23 ' HD2' ' B' ' 367' ' ' PRO . 68.3 mt -98.89 145.45 29.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.943 0.401 . . . . 0.0 110.518 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . 0.768 ' HD2' HG23 ' B' ' 366' ' ' ILE . 49.5 Cg_endo -72.84 128.16 12.99 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.892 2.395 . . . . 0.0 112.026 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . 0.518 ' H ' ' HB3' ' B' ' 177' ' ' ALA . 99.6 m -140.0 151.26 45.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.503 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.08 151.1 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.459 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 59.6 mtt -133.82 164.33 27.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.528 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 91.55 2.61 69.9 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -57.04 108.86 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.607 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.15 60.34 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 17.0 tt -148.59 138.07 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.579 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.57 ' N ' ' OE1' ' B' ' 375' ' ' GLN . 0.7 OUTLIER -66.11 135.12 95.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.576 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.93 -24.49 17.53 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.768 2.312 . . . . 0.0 112.07 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 59.7 p -66.53 -21.71 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . 0.483 HG12 ' O ' ' B' ' 378' ' ' VAL . 4.9 t -100.83 16.59 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.554 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.602 ' HA ' ' HB2' ' B' ' 382' ' ' ARG . 86.5 mt -121.64 2.25 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.682 ' O ' ' O ' ' B' ' 185' ' ' GLY . 48.2 t60 -36.44 -93.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.663 ' H ' ' HD3' ' B' ' 381' ' ' ARG . 0.0 OUTLIER -78.96 -13.83 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . 0.602 ' HB2' ' HA ' ' B' ' 379' ' ' LEU . 0.4 OUTLIER -52.86 140.91 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.608 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 39.3 m -69.96 130.21 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.588 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.3 122.9 48.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . 0.554 ' CD1' ' HD2' ' B' ' 397' ' ' PRO . 18.5 mt -124.55 105.11 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' B' ' 347' ' ' VAL . 6.1 m -108.85 155.91 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.539 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.4 t0 -145.29 93.71 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -58.19 -37.05 85.3 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . 0.437 ' HB2' ' OD1' ' B' ' 387' ' ' ASP . 12.2 m-85 -55.6 -48.15 75.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.512 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . 0.509 ' NH1' ' CD2' ' B' ' 405' ' ' TYR . 91.5 mtt180 -95.01 -14.74 24.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.594 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 58.22 59.34 10.98 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.52 164.81 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 0.0 110.713 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 170' ' ' ARG . 21.2 tp -124.09 126.19 45.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.607 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.704 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 4.7 mt -116.16 159.64 21.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.643 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.671 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 28.9 m -132.43 117.59 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.575 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.569 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.0 OUTLIER 25.82 51.96 0.27 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.547 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.704 ' HG3' ' HB3' ' B' ' 394' ' ' LEU . 48.8 Cg_endo -72.3 163.43 38.67 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.865 2.377 . . . . 0.0 112.138 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 400' ' ' VAL . 57.5 tt0 -49.72 101.94 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . 0.59 ' HD3' ' O ' ' B' ' 397' ' ' PRO . 51.7 Cg_exo -48.13 -8.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.848 2.365 . . . . 0.0 112.096 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . 0.485 ' H ' ' C ' ' B' ' 398' ' ' GLU . 79.4 t -72.21 -51.31 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.619 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.53 -44.18 94.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.77 -36.16 80.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -65.18 -49.61 69.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -66.86 -43.3 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.565 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . 0.509 ' CD2' ' NH1' ' B' ' 390' ' ' ARG . 1.2 m-85 -51.32 -43.5 61.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . 0.423 ' O ' HG22 ' B' ' 409' ' ' ILE . 11.2 mm100 -66.51 -33.75 76.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.626 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -78.84 -32.87 46.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 68.0 mt -69.53 -41.59 75.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . 0.423 HG22 ' O ' ' B' ' 406' ' ' GLN . 2.8 tp -69.69 -35.59 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . 0.423 ' N ' ' CG2' ' B' ' 409' ' ' ILE . 89.0 p -63.58 -39.86 95.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.471 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -102.82 -72.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 0.76 ' O ' ' O ' ' B' ' 413' ' ' ILE . 1.4 mt-10 -77.7 59.41 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 1.199 HG23 ' N ' ' B' ' 414' ' ' GLU . 0.3 OUTLIER -47.48 -136.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.549 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 1.199 ' N ' HG23 ' B' ' 413' ' ' ILE . 2.8 mm-40 -134.09 -162.23 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.554 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . 0.491 ' HA ' HD22 ' B' ' 415' ' ' LEU . 0.1 OUTLIER -108.22 -17.86 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 11.0 t -70.29 -82.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.473 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -96.97 68.11 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.604 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . 0.579 ' H ' ' CD2' ' B' ' 418' ' ' LEU . 0.0 OUTLIER -40.5 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.57 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -160.64 -127.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.611 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -101.04 -20.98 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -104.42 171.94 7.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -120.25 83.74 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' B' ' 424' ' ' ASN . 2.1 p -172.14 107.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.58 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' B' ' 423' ' ' VAL . 16.5 t30 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.622 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.7 p -83.15 159.32 22.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.431 ' O ' HD12 ' A' ' 76' ' ' LEU . 85.4 t -133.55 118.06 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.534 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -124.99 172.96 8.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.718 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -160.57 134.74 7.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 6' ' ' THR . 14.0 t -81.64 126.86 32.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.652 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 7' ' ' VAL . 16.9 m -128.24 125.7 64.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.589 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -82.31 126.5 32.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.59 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.19 HG22 ' O ' ' A' ' 61' ' ' ARG . 19.9 tt -89.28 104.61 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.767 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.2 p -81.75 53.9 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.527 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.24 23.93 12.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -163.65 99.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.986 ' HA ' ' CZ ' ' A' ' 83' ' ' PHE . 2.3 tt -62.38 -7.65 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.75 -42.47 1.02 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.8 tpp -170.55 -172.2 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.727 0.299 . . . . 0.0 110.572 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -50.81 -48.81 59.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' H ' ' H ' ' A' ' 18' ' ' ARG . . . -175.76 0.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.489 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.514 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 1.2 mpt_? -50.72 -56.88 15.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.516 ' O ' HD13 ' A' ' 23' ' ' LEU . 53.7 Cg_exo -47.15 -53.38 6.43 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.771 2.314 . . . . 0.0 112.165 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.49 96.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.541 ' SD ' HD12 ' B' ' 244' ' ' LEU . 0.6 OUTLIER -66.36 -42.48 87.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.443 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -62.95 -37.37 86.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.056 HD11 HG22 ' A' ' 79' ' ' VAL . 1.7 mp -49.39 -44.93 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.449 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE2' ' NE2' ' B' ' 247' ' ' HIS . 0.2 OUTLIER -57.01 -40.47 76.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -72.78 -35.19 67.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.456 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.49 -44.37 82.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.593 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -55.12 -31.67 61.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.428 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.593 ' N ' ' HG3' ' A' ' 27' ' ' MET . 24.9 mt-30 -81.97 -30.31 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.39 -30.24 31.01 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -107.91 152.76 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.772 0.32 . . . . 0.0 110.554 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.764 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -95.49 94.84 8.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.602 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 167.84 156.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.601 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -101.52 129.32 47.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.441 ' O ' HD23 ' A' ' 35' ' ' LEU . 79.7 t -106.77 133.86 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.544 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 34' ' ' VAL . 63.4 mt -134.38 139.32 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.534 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 15.4 mt -109.45 149.48 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.584 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 1.073 ' O ' HG23 ' A' ' 63' ' ' ILE . 12.0 mtt-85 -145.84 136.79 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.654 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -94.28 154.61 17.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.24 -28.37 11.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.522 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -67.97 -11.31 58.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.69 11.25 59.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.0 m -84.02 117.4 23.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.758 0.313 . . . . 0.0 110.591 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.526 ' HG2' HH21 ' A' ' 37' ' ' ARG . 3.6 tm-20 -78.11 103.73 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.635 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.76 64.98 6.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 2.8 mt-10 -40.39 121.21 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -10.03 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.75 27.94 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.629 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -145.84 123.5 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.748 ' O ' HD13 ' A' ' 53' ' ' LEU . 4.1 t -63.72 -36.25 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.491 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 50' ' ' ILE . 4.1 tt -61.25 -35.98 69.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.508 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.635 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.56 -42.93 86.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.575 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.46 -38.51 77.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.748 HD13 ' O ' ' A' ' 49' ' ' VAL . 9.3 mp -65.04 -35.73 82.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -36.68 78.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.593 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -63.16 -35.13 79.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.547 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -53.1 -34.78 58.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.475 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.0 -5.89 50.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.067 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -83.76 29.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.581 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 9.8 pttt -69.66 97.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.58 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.86 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 105.6 6.02 38.66 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 1.19 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -107.08 163.99 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.729 0.3 . . . . 0.0 110.555 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -95.89 144.85 25.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.67 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.073 HG23 ' O ' ' A' ' 37' ' ' ARG . 2.4 mp -131.73 160.11 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.507 ' N ' HG22 ' A' ' 63' ' ' ILE . 99.9 mt-10 -122.75 100.64 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.635 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.436 HG13 ' CD2' ' A' ' 36' ' ' LEU . 35.9 t -81.5 128.13 38.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.489 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.638 ' CD ' HH11 ' A' ' 37' ' ' ARG . 30.5 tt0 -120.93 140.54 51.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.608 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.75 130.68 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.676 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 6.0 t -121.27 140.32 52.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.8 -177.66 18.91 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.764 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.5 Cg_endo -71.53 -37.82 5.11 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.812 2.341 . . . . 0.0 112.134 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 72' ' ' GLU . 6.1 mm100 -97.68 4.16 50.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 71' ' ' GLN . 20.6 pt-20 -36.85 -40.34 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.72 -50.47 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.554 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 71' ' ' GLN . 26.3 tp10 -57.78 -51.71 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.552 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.813 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.54 -49.62 72.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -64.79 -44.05 91.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.522 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.2 99.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.43 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.7 98.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.056 HG22 HD11 ' A' ' 23' ' ' LEU . 26.2 t -65.96 -43.34 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.47 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.6 mt -63.97 -42.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.22 -37.89 87.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.301 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.06 -35.02 66.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.378 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.986 ' CZ ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -71.94 -30.13 65.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.453 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 85' ' ' SER . 98.3 m-20 -85.83 -3.43 58.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.9 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.51 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 5.3 ptm85 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 81.1 mt -98.4 124.07 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -77.05 112.81 14.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -120.61 157.21 30.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.585 ' CD2' ' N ' ' B' ' 174' ' ' LEU . 3.2 mm? -67.69 112.76 11.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -73.3 108.09 2.53 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.765 2.31 . . . . 0.0 112.202 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . 0.905 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -83.41 -51.26 7.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -125.11 136.63 28.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.454 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.19 144.24 41.45 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.834 2.356 . . . . 0.0 112.129 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 135.32 167.34 11.31 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 33.2 m -128.88 148.99 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.946 0.403 . . . . 0.0 110.493 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -156.58 153.24 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 25.2 pt -130.77 135.05 61.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.565 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.488 ' HB3' HG23 ' B' ' 324' ' ' ILE . . . 179.71 176.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . 0.585 ' O ' HG12 ' B' ' 324' ' ' ILE . 4.3 pt-20 -82.79 165.79 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.616 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.625 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.3 138.94 14.18 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . 0.516 ' CD1' ' NE1' ' B' ' 319' ' ' TRP . 40.7 t90 -146.71 135.42 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.577 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -98.66 150.53 21.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -66.62 166.87 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.536 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -86.7 54.2 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 92.4 m -111.64 128.11 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.68 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' B' ' 193' ' ' LEU . 29.2 mt -120.86 150.41 52.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.746 ' O ' ' N ' ' B' ' 194' ' ' MET . 52.5 Cg_exo -47.62 77.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.88 2.387 . . . . 0.0 112.092 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.957 ' H ' ' CD1' ' B' ' 193' ' ' LEU . 0.0 OUTLIER -43.25 -5.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . 0.777 ' O ' HG12 ' B' ' 197' ' ' VAL . 10.2 mtp -67.17 -39.23 86.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.661 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.95 -7.17 51.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.631 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -87.64 20.51 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.777 HG12 ' O ' ' B' ' 194' ' ' MET . 11.3 p -108.62 99.35 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.594 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -128.91 177.19 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -136.56 128.3 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.555 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -144.49 150.34 37.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 74.8 m -108.65 90.48 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . 0.563 ' O ' ' OD2' ' B' ' 204' ' ' ASP . 0.0 OUTLIER -151.82 86.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 0.752 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 1.2 pp -56.65 129.84 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 1.006 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 1.1 m-20 -155.84 67.71 4.83 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.423 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 39.0 Cg_endo -70.26 -46.62 0.96 Allowed 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.842 2.361 . . . . 0.0 112.21 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -60.34 -49.25 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 56.2 mt -79.28 -40.15 31.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.442 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 1.006 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 5.3 tp10 -67.86 -56.8 7.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . 0.556 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 53.3 ttt85 -45.37 -49.11 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . 0.419 ' O ' ' OE1' ' B' ' 210' ' ' GLU . 0.1 OUTLIER -70.91 -36.46 72.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.373 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.62 HH12 ' CD ' ' B' ' 269' ' ' GLU . 9.8 ttt-85 -57.48 -47.1 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.395 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.771 HD13 ' C ' ' B' ' 212' ' ' LEU . 3.5 tm? -67.98 -52.14 39.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.41 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . 0.445 ' O ' ' OE1' ' B' ' 217' ' ' GLU . 85.8 m -55.68 -51.96 65.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.501 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -57.58 -37.76 84.34 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -70.35 -46.09 64.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 110.422 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.835 ' C ' HD12 ' B' ' 216' ' ' LEU . 0.2 OUTLIER -60.49 -48.04 83.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.396 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.797 ' N ' ' HG ' ' B' ' 216' ' ' LEU . 0.4 OUTLIER -60.72 -37.02 80.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.353 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.59 ' CD ' HD21 ' B' ' 313' ' ' ASN . 41.1 tt0 -69.76 -33.45 72.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.463 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -87.74 -45.7 10.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -55.68 -51.56 66.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.504 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 87.7 m-20 -63.18 -35.54 80.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.455 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' B' ' 226' ' ' TYR . 1.1 tt0 -70.96 -35.89 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.604 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . 0.658 ' CD1' ' NH1' ' B' ' 304' ' ' ARG . 0.7 OUTLIER -76.08 -41.91 49.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.426 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . 0.458 HH21 ' HD2' ' B' ' 224' ' ' ARG . 4.5 ttm105 -52.13 -54.94 24.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.518 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . 0.43 ' NH1' ' HG3' ' B' ' 222' ' ' GLU . 1.6 ptt180 -68.17 -24.29 64.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.519 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' B' ' 222' ' ' GLU . 0.1 OUTLIER -66.61 -55.77 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.446 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . 0.678 ' OG ' ' HB3' ' B' ' 242' ' ' PHE . 75.0 m -57.08 -50.21 73.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.446 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -51.08 -41.38 59.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -71.81 -34.67 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.437 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -68.86 -42.28 77.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.45 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . 0.656 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -58.73 -37.45 76.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.6 -31.92 71.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -116.09 20.36 12.89 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -135.85 -136.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.877 0.37 . . . . 0.0 110.587 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.545 ' O ' ' OG1' ' B' ' 238' ' ' THR . 19.1 pm0 -129.22 169.5 14.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -26.19 68.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.94 -41.58 92.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.545 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 1.8 p -63.66 -59.37 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.639 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . 0.656 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -51.05 -45.55 61.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.91 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 6.8 mm -66.62 -59.76 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.678 ' HB3' ' OG ' ' B' ' 227' ' ' SER . 33.5 m-85 -58.26 -60.43 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' B' ' 242' ' ' PHE . 64.7 t0 -34.35 -41.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.538 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 0.95 HD23 ' C ' ' B' ' 244' ' ' LEU . 1.3 tt -69.94 -40.04 75.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.559 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.724 ' N ' HD23 ' B' ' 244' ' ' LEU . 0.9 OUTLIER -68.74 -43.29 76.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.469 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 73.1 m -49.47 -45.09 46.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.521 ' NE2' ' CE2' ' A' ' 24' ' ' PHE . 13.0 t60 -70.22 -22.21 62.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.596 HD23 ' C ' ' B' ' 248' ' ' LEU . 8.3 tt -69.55 -47.91 62.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.592 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.34 -44.19 84.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 88.1 p -75.2 -12.11 60.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.474 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' B' ' 253' ' ' ARG . 61.1 t0 -55.94 121.21 8.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.483 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 62.1 p -58.55 -2.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.752 ' HE ' ' N ' ' B' ' 254' ' ' LEU . 1.5 tmm_? -80.79 -47.23 14.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . 0.752 ' N ' ' HE ' ' B' ' 253' ' ' ARG . 12.0 tp -69.01 -37.29 78.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.441 HH12 ' NH2' ' B' ' 209' ' ' ARG . 3.3 ttp85 -68.07 -44.94 75.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.654 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.44 -47.69 78.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.792 ' OE2' ' CE1' ' B' ' 279' ' ' PHE . 3.4 tt0 -57.01 -52.06 66.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.767 HD13 ' C ' ' B' ' 258' ' ' LEU . 3.1 tm? -53.85 -58.25 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . 0.487 ' N ' HD13 ' B' ' 258' ' ' LEU . 63.0 t80 -53.87 -33.73 57.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -60.49 -41.0 93.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.629 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -43.41 92.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.06 -36.95 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.446 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.09 -12.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.489 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -99.36 -19.82 16.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 123.92 10.12 5.41 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 46.4 m -83.15 154.98 24.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.615 0.245 . . . . 0.0 110.632 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . 0.629 ' O ' ' CB ' ' B' ' 271' ' ' ALA . 3.1 t -97.92 148.14 6.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' B' ' 272' ' ' VAL . . . -54.1 -51.59 63.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.62 ' CD ' HH12 ' B' ' 211' ' ' ARG . 1.9 mm-40 -40.06 -67.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.664 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . 0.715 ' CZ3' HG23 ' B' ' 197' ' ' VAL . 5.2 t-105 -73.82 -42.94 60.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.629 ' CB ' ' O ' ' B' ' 267' ' ' VAL . . . -54.28 -53.91 47.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.556 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' B' ' 268' ' ' ALA . 53.4 t -56.21 -33.7 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' B' ' 193' ' ' LEU . 0.0 OUTLIER -72.84 -30.53 64.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.506 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . 0.685 ' OG1' ' CZ2' ' B' ' 270' ' ' TRP . 15.0 m -72.57 -57.32 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.818 HG13 ' H ' ' B' ' 276' ' ' ILE . 5.5 p -48.28 -60.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.601 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.818 ' H ' HG13 ' B' ' 275' ' ' VAL . 1.9 pp -53.79 -38.04 34.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' B' ' 281' ' ' GLU . 2.5 mm-40 -71.15 -36.6 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.499 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' B' ' 278' ' ' LYS . 3.2 mtmp? -66.34 -38.35 87.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.525 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . 0.792 ' CE1' ' OE2' ' B' ' 257' ' ' GLU . 20.7 m-85 -74.17 -27.87 61.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.574 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.76 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.519 ' OE2' ' O ' ' B' ' 277' ' ' GLU . 0.4 OUTLIER -77.93 -39.47 42.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -60.17 -47.36 86.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.446 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 5.9 m-30 -60.82 -49.12 78.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.627 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -57.87 -49.38 76.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.562 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -29.4 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.704 HD12 ' N ' ' B' ' 286' ' ' LEU . 6.1 mp -64.92 165.16 11.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 71.8 p -95.8 -37.29 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.62 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.577 ' HB3' ' CD2' ' B' ' 291' ' ' LEU . 0.9 OUTLIER -48.28 134.72 14.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.533 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -84.31 -31.25 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.588 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.77 -32.86 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.616 HD12 ' N ' ' B' ' 292' ' ' LYS . 3.2 pp -94.37 -47.63 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.519 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.616 ' N ' HD12 ' B' ' 291' ' ' LEU . 0.5 OUTLIER -40.72 -41.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -71.17 -40.83 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.446 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.63 HH11 ' CD2' ' B' ' 244' ' ' LEU . 37.9 tpt85 -51.57 -31.05 23.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.508 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -52.62 -44.16 65.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.47 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -45.71 -43.13 11.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.52 -37.73 87.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.401 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 10.8 tp -56.95 -56.88 15.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.412 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -55.05 -44.49 74.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.37 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.403 ' HB1' HG21 ' B' ' 333' ' ' THR . . . -59.97 -37.3 79.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.323 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.724 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.2 OUTLIER -58.63 -39.42 80.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.279 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -61.57 -43.12 99.71 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.81 -37.39 81.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 110.294 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.658 ' NH1' ' CD1' ' B' ' 223' ' ' PHE . 0.9 OUTLIER -72.68 -39.18 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.268 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' B' ' 309' ' ' LEU . 0.7 OUTLIER -68.17 -43.29 78.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.309 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.22 -39.34 94.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.361 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.59 -47.32 81.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.449 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -75.23 -16.75 60.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 0.4 OUTLIER -72.8 -18.21 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' B' ' 312' ' ' ALA . 1.1 m-20 -103.37 127.36 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' B' ' 310' ' ' ASP . 6.9 m-20 -39.5 -20.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.488 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' B' ' 310' ' ' ASP . . . -60.67 -45.04 95.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.543 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.707 ' O ' ' O ' ' B' ' 314' ' ' GLN . 1.5 t-20 45.42 -155.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.689 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . 0.707 ' O ' ' O ' ' B' ' 313' ' ' ASN . 0.7 OUTLIER -29.16 160.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.521 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . 0.643 ' O ' ' ND2' ' B' ' 317' ' ' ASN . . . -144.85 171.95 25.89 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' B' ' 317' ' ' ASN . 51.9 Cg_exo -47.93 -5.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 122.833 2.355 . . . . 0.0 112.178 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . 0.643 ' ND2' ' O ' ' B' ' 315' ' ' GLY . 0.3 OUTLIER -46.57 175.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . 0.535 ' HB1' ' NH2' ' B' ' 342' ' ' ARG . . . 68.26 86.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.679 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 1.041 ' HB3' ' HD2' ' B' ' 320' ' ' PRO . 94.2 m95 -76.42 -177.78 0.81 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.463 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 1.041 ' HD2' ' HB3' ' B' ' 319' ' ' TRP . 53.7 Cg_exo -47.1 166.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.835 2.357 . . . . 0.0 112.03 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 11.1 pm0 -58.86 11.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.54 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.681 ' H ' ' C ' ' B' ' 320' ' ' PRO . 7.9 mtm105 -132.46 108.71 9.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.659 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' B' ' 324' ' ' ILE . 0.2 OUTLIER -179.93 159.14 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.77 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.585 HG12 ' O ' ' B' ' 184' ' ' GLU . 5.0 pt -126.52 148.31 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.423 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.403 HD23 ' N ' ' B' ' 326' ' ' VAL . 0.8 OUTLIER -93.33 135.48 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.747 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.567 HG13 ' O ' ' B' ' 326' ' ' VAL . 4.0 p -131.0 90.36 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.533 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -121.24 157.2 30.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.562 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' B' ' 351' ' ' GLY . 7.2 m-20 -64.47 -34.71 78.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -142.53 119.73 11.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.562 ' HG ' ' HB1' ' B' ' 357' ' ' ALA . 21.6 tp -71.88 116.16 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 85.9 p -114.05 133.12 55.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.512 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.65 -37.5 63.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.586 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.403 HG21 ' HB1' ' B' ' 300' ' ' ALA . 96.1 m -56.78 -46.73 81.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 97.6 m -57.27 -50.27 73.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.627 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' B' ' 337' ' ' GLU . 0.2 OUTLIER -54.05 -45.58 71.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.506 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -66.1 9.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' B' ' 335' ' ' LEU . 21.2 tt0 -110.32 -32.98 6.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 1.2 pp -112.74 133.74 21.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.91 135.72 43.49 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.821 2.347 . . . . 0.0 112.065 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' B' ' 340' ' ' GLN . 32.1 tp60 -73.85 -10.99 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -71.56 -39.65 70.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.523 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.535 ' NH2' ' HB1' ' B' ' 318' ' ' ALA . 7.7 mtt85 -82.84 -11.13 58.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.432 HD23 ' OE1' ' B' ' 340' ' ' GLN . 41.3 tp -83.11 102.78 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -119.06 24.75 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . 0.468 ' HA3' HG22 ' B' ' 324' ' ' ILE . . . 165.42 153.29 7.52 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.04 149.33 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 0.0 110.501 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 87.3 t -137.07 124.94 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . . . . . . . . . 3.6 t -115.56 148.61 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . 0.788 HH11 ' N ' ' B' ' 374' ' ' ILE . 15.3 ttm180 -115.92 -47.38 2.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.563 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' B' ' 350' ' ' ASP . 59.6 t0 -107.91 -33.66 7.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' B' ' 328' ' ' ASP . . . -39.05 146.61 0.17 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -97.59 156.32 16.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 110.651 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.88 -37.5 76.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' B' ' 355' ' ' SER . 48.1 p-10 -67.67 -13.67 62.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . 0.445 ' N ' ' OD1' ' B' ' 354' ' ' ASN . 52.9 m -54.45 134.96 46.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 19.5 pt20 -55.49 -40.31 71.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.588 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . 0.562 ' HB1' ' HG ' ' B' ' 330' ' ' LEU . . . -59.85 -48.74 80.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -58.81 -40.28 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.625 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 11.0 mm -71.53 -33.15 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.547 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -62.11 -51.15 69.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.489 HG23 ' N ' ' B' ' 362' ' ' ARG . 25.5 m -66.41 -43.58 91.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.501 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.489 ' N ' HG23 ' B' ' 361' ' ' VAL . 14.6 ttp180 -60.26 -44.52 95.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.27 -22.19 62.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.23 -24.9 60.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . 0.404 ' C ' HD12 ' B' ' 366' ' ' ILE . . . 95.6 26.47 11.86 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . 0.404 HD12 ' C ' ' B' ' 365' ' ' GLY . 1.5 mp -109.97 128.99 24.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.614 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.85 128.88 16.83 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.855 2.37 . . . . 0.0 112.102 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 47.0 m -143.61 138.62 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 28.7 m -136.74 148.42 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.905 ' SD ' ' HB2' ' B' ' 176' ' ' ALA . 0.1 OUTLIER -129.13 163.61 25.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.93 -4.33 59.07 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -53.36 111.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.55 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . 0.605 ' C ' HH11 ' B' ' 349' ' ' ARG . 6.2 p30 -110.81 62.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.824 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 3.9 tp -137.58 135.48 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -64.77 101.98 0.3 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . 0.824 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 52.6 Cg_exo -50.27 -24.01 10.91 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.746 2.297 . . . . 0.0 112.136 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 49.1 m -58.75 -39.89 82.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.78 -32.31 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.856 HD22 ' N ' ' B' ' 379' ' ' LEU . 1.3 mm? -84.18 -47.98 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.642 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.625 ' O ' ' O ' ' B' ' 185' ' ' GLY . 61.3 t-80 52.93 -69.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.589 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.729 ' N ' ' O ' ' B' ' 379' ' ' LEU . 8.8 mtm105 -146.56 25.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.582 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -72.72 174.26 7.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . 0.732 ' O ' HD12 ' B' ' 384' ' ' LEU . 60.2 m -79.35 122.24 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.732 HD12 ' O ' ' B' ' 383' ' ' THR . 3.4 mp -131.11 117.32 18.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.618 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . 0.769 HG23 ' HB2' ' B' ' 394' ' ' LEU . 0.7 OUTLIER -108.15 122.85 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.576 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 17.2 m -102.27 153.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.558 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.641 ' O ' ' N ' ' B' ' 391' ' ' GLY . 38.5 t0 -136.08 79.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.572 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.7 -44.98 30.73 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -45.61 -53.31 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.506 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.14 8.02 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.604 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.641 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 45.71 53.49 8.51 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -118.3 153.54 33.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.819 0.342 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.431 HD23 ' N ' ' B' ' 394' ' ' LEU . 1.3 tt -130.67 118.0 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.769 ' HB2' HG23 ' B' ' 385' ' ' ILE . 2.0 mm? -102.07 143.46 31.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.615 ' O ' ' C ' ' B' ' 396' ' ' ASP . 28.3 m -119.38 115.52 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.559 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.615 ' C ' ' O ' ' B' ' 395' ' ' VAL . 20.5 p-10 20.39 56.9 0.22 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.633 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.589 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 55.6 Cg_endo -73.97 165.52 31.87 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.79 2.327 . . . . 0.0 112.162 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -42.82 142.91 1.3 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.89 -34.32 8.82 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.83 2.354 . . . . 0.0 112.171 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 54.9 t -78.98 -46.74 23.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.75 -41.72 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . 0.467 ' O ' HD23 ' B' ' 402' ' ' LEU . 8.9 tt -74.52 -22.33 59.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.49 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -69.79 -44.82 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.705 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' B' ' 408' ' ' LEU . 50.4 mm-40 -74.0 -36.67 64.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.56 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.08 -48.99 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -65.9 -38.28 88.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -73.07 -30.95 64.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' B' ' 404' ' ' GLU . 9.8 tp -66.6 -44.43 82.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.6 -41.34 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 91.6 p -74.28 -16.85 60.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -56.03 -85.28 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.588 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 0.429 ' H ' ' H ' ' B' ' 413' ' ' ILE . 0.0 OUTLIER 175.82 2.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 0.491 ' O ' HG22 ' B' ' 413' ' ' ILE . 26.5 mm -83.21 42.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.464 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -92.16 65.82 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 1.3 mp -85.94 2.48 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 30.1 p -107.05 60.47 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.662 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . 0.49 HH21 ' HD2' ' B' ' 417' ' ' ARG . 41.7 mtm105 -60.46 -76.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.03 -75.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.631 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -115.35 -127.23 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -100.09 19.08 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -43.76 107.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.578 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -87.49 -82.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 25.0 m -134.3 141.53 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.42 ' H ' HG22 ' A' ' 2' ' ' THR . 1.8 t -84.94 159.01 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -133.14 119.68 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -126.84 172.85 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.706 ' C ' ' NE2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -161.88 133.98 5.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.546 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.6 m -80.04 127.76 32.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.5 HG13 HG13 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -128.71 124.35 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.461 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -80.71 126.4 31.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.5 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.438 HD11 HD13 ' A' ' 63' ' ' ILE . 75.7 mt -89.64 105.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.696 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.6 OUTLIER -84.4 61.08 6.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.557 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 59.86 25.21 14.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.645 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -165.58 102.9 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.5 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 0.4 OUTLIER -66.32 -4.59 8.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.587 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.52 ' O ' ' C ' ' A' ' 15' ' ' MET . . . 147.75 124.32 1.46 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.803 ' O ' ' N ' ' A' ' 17' ' ' ALA . 6.7 mtt -29.8 149.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -52.39 63.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.803 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -110.11 -3.62 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.79 ' N ' ' HD3' ' A' ' 19' ' ' PRO . 3.1 mtp180 78.82 36.47 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.517 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.79 ' HD3' ' N ' ' A' ' 18' ' ' ARG . 60.1 Cg_exo -46.8 -55.69 3.63 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.822 2.348 . . . . 0.0 112.025 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.536 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -57.31 -47.45 81.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.522 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.4 -42.72 95.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.28 -38.27 86.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.518 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.9 -46.78 52.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.389 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -55.68 -40.25 72.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -71.96 -36.47 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' A' ' 30' ' ' PHE . 92.1 mt -66.51 -42.14 87.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 38.4 ttm -55.54 -31.11 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.484 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -33.19 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.63 -33.56 34.05 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' A' ' 26' ' ' LEU . 22.6 m-85 -103.53 155.67 18.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 0.0 110.611 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -99.62 92.68 5.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 170.88 157.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -102.3 126.76 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.13 134.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mp -135.84 139.25 43.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.505 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 6.0 mt -109.08 149.72 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.581 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -148.08 133.4 18.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.524 ' HA ' HG22 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -89.97 157.87 17.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.554 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD2' ' OE1' ' A' ' 62' ' ' GLN . 54.7 t0 -53.86 -28.5 36.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 47.9 mt-10 -66.95 -11.14 55.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.537 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.64 11.28 59.46 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 p -83.99 116.74 22.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.903 0.382 . . . . 0.0 110.486 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.77 102.61 7.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.646 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -88.97 66.43 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.564 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -41.45 121.55 1.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.528 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.95 -10.21 12.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -100.22 29.23 4.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.74 122.9 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.35 -35.74 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.583 HD12 ' CE2' ' B' ' 283' ' ' PHE . 2.7 tt -61.64 -36.76 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.605 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.646 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.39 -42.07 88.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.713 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.536 HD22 ' HB1' ' A' ' 20' ' ' ALA . 95.7 mt -58.79 -37.85 77.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.673 HD13 HD12 ' B' ' 291' ' ' LEU . 87.3 mt -65.6 -36.54 84.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.61 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.4 mtm -67.61 -37.27 82.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.1 tt -62.04 -36.06 80.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -52.69 -35.49 55.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.7 p -75.99 -6.56 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.47 29.67 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 97.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.62 5.8 38.83 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.543 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 85.4 mtt180 -106.21 165.78 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.718 0.294 . . . . 0.0 110.58 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.412 ' OE1' ' OD2' ' A' ' 39' ' ' ASP . 2.8 mp0 -99.07 143.05 29.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.547 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 38' ' ' ASN . 42.3 pt -130.94 161.89 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.559 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mp0 -123.5 101.52 7.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.74 127.57 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.505 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -119.68 138.18 53.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.88 130.38 29.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.485 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.464 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 2.6 t -124.0 129.09 50.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.33 162.59 9.29 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -48.02 -44.88 26.77 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.798 2.332 . . . . 0.0 112.141 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLU . 1.1 mm100 -93.85 6.24 49.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.543 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 13.9 pt-20 -37.7 -37.79 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.531 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 3.2 pt-20 -64.26 -48.86 74.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.597 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.531 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 14.5 mm-40 -57.7 -51.09 70.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.473 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.41 -48.99 75.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.634 ' C ' HD23 ' A' ' 76' ' ' LEU . 9.7 tt -64.44 -45.0 89.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.66 99.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.454 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.62 98.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.36 -44.07 91.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.555 HD11 ' CD ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -63.29 -41.84 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.462 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.5 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.28 -36.55 84.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.426 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.71 -37.48 67.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.435 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 13' ' ' LEU . 4.1 m-85 -70.0 -31.91 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.698 ' O ' ' HB2' ' A' ' 85' ' ' SER . 5.8 m120 -82.31 -4.03 56.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.698 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 26.7 m . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . 0.831 ' C ' HD12 ' B' ' 171' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . 0.831 HD12 ' C ' ' B' ' 170' ' ' ARG . 2.0 mp -131.94 140.95 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.563 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -91.56 108.6 20.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -103.4 158.42 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.512 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.593 ' N ' ' O ' ' B' ' 370' ' ' MET . 49.0 mt -68.49 117.65 52.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -73.38 104.11 1.74 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.648 2.232 . . . . 0.0 112.217 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . 0.501 ' O ' ' NH2' ' B' ' 362' ' ' ARG . . . -82.14 -39.81 22.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.599 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.573 ' O ' ' HA3' ' B' ' 388' ' ' GLY . . . -134.67 132.72 20.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.45 138.54 32.83 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.841 2.361 . . . . 0.0 112.106 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 139.06 168.92 11.41 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 76.5 t -121.52 137.53 54.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.509 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -141.67 142.17 33.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.664 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 7.6 tt -126.54 128.75 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.735 ' HB3' HG23 ' B' ' 324' ' ' ILE . . . 179.79 170.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.601 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . 0.644 ' O ' HG12 ' B' ' 324' ' ' ILE . 92.1 mt-10 -78.16 169.65 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.482 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.775 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -90.31 97.72 2.36 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -105.5 122.15 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.71 115.8 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.483 ' OD2' ' OE1' ' B' ' 337' ' ' GLU . 63.2 t0 -91.05 70.82 6.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.531 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -103.35 22.52 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.657 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . 0.422 ' O ' HG23 ' B' ' 190' ' ' THR . 8.8 t -38.12 128.99 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.579 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . 0.463 HD23 ' HD2' ' B' ' 192' ' ' PRO . 0.7 OUTLIER -137.03 106.29 8.78 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.463 ' HD2' HD23 ' B' ' 191' ' ' LEU . 51.2 Cg_exo -49.31 136.78 31.51 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.806 2.338 . . . . 0.0 112.052 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.46 -15.24 48.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.649 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 9.6 mmt -63.9 -6.14 5.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.633 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -107.35 -7.59 16.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . 0.443 ' OE1' ' N ' ' B' ' 196' ' ' GLN . 0.7 OUTLIER -103.41 -31.32 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.559 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . . . . . . . . . 11.1 p -126.06 140.07 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.574 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -77.31 177.45 7.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . 0.45 ' OE1' ' CE3' ' B' ' 270' ' ' TRP . 6.7 pt20 -137.54 170.38 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -55.98 -165.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 31.2 t -142.24 110.81 6.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.36 113.77 7.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.505 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 0.591 HD12 ' H ' ' B' ' 204' ' ' ASP . 11.0 tp -68.24 129.12 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.484 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.591 ' H ' HD12 ' B' ' 203' ' ' LEU . 73.9 m-20 -152.55 93.6 3.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.583 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.511 ' O ' ' NE ' ' B' ' 209' ' ' ARG . 39.1 Cg_endo -70.32 -20.5 32.12 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.803 2.336 . . . . 0.0 112.111 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -79.57 -41.76 26.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' B' ' 211' ' ' ARG . 35.8 mt -85.93 -36.36 19.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.663 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 0.0 OUTLIER -65.43 -52.79 50.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.541 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' B' ' 205' ' ' PRO . 6.9 ptp180 -60.36 -41.19 93.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.477 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' B' ' 206' ' ' ALA . 3.4 mm-40 -75.62 -34.03 60.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.642 ' NH2' ' OE2' ' B' ' 269' ' ' GLU . 11.2 mtt180 -56.53 -52.62 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.568 ' HB3' ' NH2' ' B' ' 255' ' ' ARG . 0.2 OUTLIER -71.33 -53.79 12.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.331 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . 0.498 ' OG1' ' CZ ' ' B' ' 255' ' ' ARG . 81.9 m -50.45 -53.0 32.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.26 -34.37 84.29 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.25 67.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.799 0.333 . . . . 0.0 110.398 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.744 ' O ' ' N ' ' B' ' 220' ' ' ALA . 2.1 tp -54.86 -50.17 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.447 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 71.9 mm-40 -49.76 -37.0 27.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.331 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -80.88 -32.01 35.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.73 -51.99 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.339 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.744 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.84 -51.54 67.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.396 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.6 ' O ' ' NE ' ' B' ' 225' ' ' ARG . 90.3 m-20 -64.32 -33.79 76.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.321 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.693 ' N ' HH11 ' B' ' 225' ' ' ARG . 3.6 tm-20 -70.74 -39.5 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.416 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . 0.437 ' CZ ' ' CD2' ' B' ' 301' ' ' LEU . 2.9 m-85 -64.65 -47.83 77.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.454 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . 0.42 ' HD2' HH21 ' B' ' 224' ' ' ARG . 14.3 mtm180 -60.96 -40.82 94.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . 0.693 HH11 ' N ' ' B' ' 222' ' ' GLU . 81.4 mtm180 -68.53 -30.99 69.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.436 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.7 ' OH ' ' O ' ' B' ' 336' ' ' ALA . 0.3 OUTLIER -63.44 -55.89 20.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.447 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 9.2 p -49.99 -44.38 50.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -60.87 -39.75 90.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . 0.464 ' NH1' ' CE1' ' B' ' 226' ' ' TYR . 31.5 ttp-105 -69.67 -39.6 76.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.63 -43.12 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.508 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.65 -36.48 67.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.7 -33.07 71.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.526 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -93.27 26.76 13.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . 51.51 77.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.693 ' NE2' ' H ' ' B' ' 238' ' ' THR . 0.0 OUTLIER -143.15 92.63 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.599 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' B' ' 236' ' ' LYS . 1.0 OUTLIER -70.98 -42.32 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.587 ' OE1' ' N ' ' B' ' 238' ' ' THR . 16.3 tm-20 -50.58 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.693 ' H ' ' NE2' ' B' ' 235' ' ' GLN . 3.0 p -46.85 -59.09 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -48.63 -50.53 32.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.48 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.32 88.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.583 HG22 ' N ' ' B' ' 242' ' ' PHE . 1.3 mp -68.07 -54.91 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.583 ' N ' HG22 ' B' ' 241' ' ' ILE . 11.3 m-85 -58.66 -53.86 53.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.572 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -43.5 -41.99 4.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.433 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.91 -38.76 79.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.483 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.544 ' OH ' ' HB2' ' B' ' 297' ' ' ASP . 10.6 m-85 -70.73 -42.27 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.18 -46.68 35.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.569 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.464 ' ND1' ' O ' ' B' ' 247' ' ' HIS . 0.0 OUTLIER -73.41 -26.55 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.829 HD23 ' N ' ' B' ' 249' ' ' LEU . 0.6 OUTLIER -69.99 -40.18 75.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.842 HD11 HD11 ' B' ' 301' ' ' LEU . 2.8 mt -72.13 -38.02 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 60.2 p -76.09 -17.8 59.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.721 ' OD1' ' N ' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -44.53 116.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 13.6 t -57.24 0.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.476 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.721 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 7.2 ttt180 -86.58 -40.84 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . 0.701 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 4.7 mp -77.46 -38.03 50.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.68 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.568 ' NH2' ' HB3' ' B' ' 212' ' ' LEU . 14.3 tpt180 -63.09 -50.94 68.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -60.34 -46.57 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 0.6 OUTLIER -51.35 -50.76 58.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.497 HD22 HD23 ' B' ' 212' ' ' LEU . 0.1 OUTLIER -54.44 -63.55 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.638 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . 0.523 ' O ' HG22 ' B' ' 262' ' ' VAL . 3.2 t80 -53.65 -25.61 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -72.72 -40.17 66.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.556 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.37 -49.43 77.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 259' ' ' PHE . 2.8 m -65.29 -34.4 70.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.597 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.29 -15.98 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -92.77 -17.13 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.36 20.38 2.44 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' B' ' 262' ' ' VAL . 6.2 m -103.57 157.08 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.548 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 8.2 t -91.1 141.68 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.448 ' O ' HG12 ' B' ' 272' ' ' VAL . . . -54.57 -36.64 64.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.581 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.642 ' OE2' ' NH2' ' B' ' 211' ' ' ARG . 1.1 mp0 -54.47 -47.26 73.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . 0.45 ' CE3' ' OE1' ' B' ' 199' ' ' GLN . 1.1 m-90 -83.58 -31.8 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.619 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.787 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -59.83 -49.4 77.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.639 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.448 HG12 ' O ' ' B' ' 268' ' ' ALA . 13.6 p -65.44 -31.21 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.755 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 38.1 ttpt -80.25 -44.88 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.1 m -64.39 -51.66 62.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.863 HG23 ' N ' ' B' ' 276' ' ' ILE . 21.4 m -58.24 -63.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.511 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.863 ' N ' HG23 ' B' ' 275' ' ' VAL . 7.2 tp -47.91 -41.42 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.622 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.755 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 0.4 OUTLIER -74.1 -40.59 62.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.528 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -63.01 -35.13 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.591 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . 0.498 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 35.9 m-85 -82.92 -12.58 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -76.79 -44.81 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.629 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.476 ' CD ' ' O ' ' B' ' 277' ' ' GLU . 3.2 pm0 -85.72 -28.87 24.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . 0.413 ' NE2' ' CD2' ' B' ' 279' ' ' PHE . 3.2 mt-30 -53.52 -51.47 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.499 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.611 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 0.7 OUTLIER -77.83 -42.99 31.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.603 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -41.25 -33.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.562 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -51.61 -17.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.7 172.82 9.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.525 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 89.4 p -108.61 -24.16 11.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -43.73 115.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -54.92 -53.07 60.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.26 -28.31 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.413 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.673 HD12 HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -74.72 -56.62 4.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.499 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' B' ' 291' ' ' LEU . 8.6 mmtp -38.54 -47.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.395 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.11 -46.21 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.316 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.423 ' HD2' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -60.48 -39.33 87.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.218 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' B' ' 298' ' ' LEU . . . -58.46 -46.98 85.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.269 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -53.2 -40.19 59.46 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.544 ' HB2' ' OH ' ' B' ' 245' ' ' TYR . 0.2 OUTLIER -65.39 -38.11 89.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.242 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 295' ' ' ALA . 4.2 mt -54.0 -50.96 65.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.315 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . 0.757 ' HG3' ' N ' ' B' ' 300' ' ' ALA . 0.1 OUTLIER -54.4 -37.34 64.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.225 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.757 ' N ' ' HG3' ' B' ' 299' ' ' ARG . . . -67.9 -38.6 83.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.207 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.842 HD11 HD11 ' B' ' 249' ' ' LEU . 1.8 tm? -50.47 -42.93 55.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.267 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -64.71 -40.2 97.26 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -43.99 89.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.366 . . . . 0.0 110.248 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.484 ' O ' ' CD2' ' B' ' 308' ' ' HIS . 0.0 OUTLIER -71.64 -36.66 70.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.235 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' B' ' 305' ' ' LEU . 0.1 OUTLIER -69.27 -39.44 78.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 179.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . 0.613 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.5 OUTLIER -56.94 -40.32 76.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.383 179.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . 0.574 ' O ' ' HB2' ' B' ' 313' ' ' ASN . 0.1 OUTLIER -70.42 -41.61 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.523 ' ND1' ' ND2' ' B' ' 313' ' ' ASN . 82.3 m-70 -66.39 -33.13 75.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.451 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' B' ' 309' ' ' LEU . 8.2 tp -61.59 -9.12 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.499 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.613 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 6.4 m-20 -107.12 115.19 29.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -51.85 -6.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.579 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' B' ' 310' ' ' ASP . . . -82.1 -12.46 58.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.699 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' B' ' 307' ' ' PHE . 57.6 t30 -80.05 124.93 29.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -84.91 -66.93 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 157.01 -74.26 0.22 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . 0.445 ' O ' ' O ' ' B' ' 317' ' ' ASN . 49.6 Cg_endo -72.72 -32.97 8.76 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.801 2.334 . . . . 0.0 112.095 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . 0.445 ' O ' ' O ' ' B' ' 316' ' ' PRO . 0.8 OUTLIER 59.59 137.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.59 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -76.34 84.42 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.617 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.878 ' HB3' ' HD2' ' B' ' 320' ' ' PRO . 77.2 m95 -71.63 171.14 9.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 0.878 ' HD2' ' HB3' ' B' ' 319' ' ' TRP . 42.0 Cg_endo -71.29 -179.59 3.71 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.76 2.306 . . . . 0.0 112.103 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . 0.488 ' O ' ' HD3' ' B' ' 342' ' ' ARG . 50.0 mp0 -83.0 -60.24 2.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.596 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.893 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 84.2 mtt180 -147.94 137.54 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.528 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.893 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 27.9 m-85 -174.81 167.18 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.559 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.735 HG23 ' HB3' ' B' ' 183' ' ' ALA . 7.3 pt -101.39 147.11 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.577 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.468 HD12 HD11 ' B' ' 343' ' ' LEU . 0.4 OUTLIER -81.97 110.72 17.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.2 97.99 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -134.52 149.13 50.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.484 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.83 -27.97 68.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -151.49 123.33 8.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.591 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.606 HD11 HG11 ' B' ' 346' ' ' VAL . 2.4 mt -57.93 131.59 50.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.619 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 4.1 m -130.78 123.59 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.568 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.03 -39.53 66.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.674 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.66 HG21 ' HB1' ' B' ' 300' ' ' ALA . 61.9 m -58.65 -43.31 89.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 60.7 m -60.7 -50.27 74.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 5.2 mp -49.73 -43.64 47.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . 0.7 ' O ' ' OH ' ' B' ' 226' ' ' TYR . . . -64.11 -24.82 67.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.483 ' OE1' ' OD2' ' B' ' 188' ' ' ASP . 28.9 tt0 -67.75 -35.92 79.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.589 HD11 ' CZ3' ' B' ' 319' ' ' TRP . 7.3 mp -115.76 126.12 28.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -48.19 143.67 14.13 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.839 2.359 . . . . 0.0 112.112 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.1 mp0 -67.39 -7.5 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.493 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.21 -38.84 42.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.657 ' HA ' ' HE ' ' B' ' 342' ' ' ARG . 9.2 mmp_? -78.72 -24.82 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.468 HD11 HD12 ' B' ' 325' ' ' LEU . 2.0 mm? -69.16 113.32 6.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.51 HG12 ' O ' ' B' ' 344' ' ' VAL . 6.1 t -122.72 19.61 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.582 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . 0.577 ' HA3' HG22 ' B' ' 324' ' ' ILE . . . 159.61 163.95 14.12 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.606 HG11 HD11 ' B' ' 330' ' ' LEU . 48.9 t -148.05 151.23 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.509 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . 0.474 HG22 ' O ' ' B' ' 347' ' ' VAL . 0.2 OUTLIER -146.29 125.52 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.54 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.49 HG11 ' O ' ' B' ' 351' ' ' GLY . 89.2 t -109.18 148.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -86.18 -54.85 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.654 ' O ' ' N ' ' B' ' 352' ' ' ALA . 0.0 OUTLIER -135.99 -19.03 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . -53.54 74.34 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -34.36 157.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.51 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.806 ' HB1' HH12 ' B' ' 362' ' ' ARG . . . -61.93 -6.12 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -54.02 -33.57 57.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.57 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 51.9 m -51.46 141.25 16.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -58.91 -37.72 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.624 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.87 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.54 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.533 HD13 HH11 ' B' ' 362' ' ' ARG . 38.4 mm -64.86 -31.68 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.65 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 37.8 tpp -86.39 -25.03 25.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.622 ' CG1' ' N ' ' B' ' 362' ' ' ARG . 0.4 OUTLIER -65.85 -48.38 82.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.501 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.806 HH12 ' HB1' ' B' ' 353' ' ' ALA . 3.7 ptp180 -68.51 -36.32 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.527 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.432 ' N ' ' CG ' ' B' ' 362' ' ' ARG . . . -68.45 -24.13 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.492 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 5.4 tp -79.72 -21.57 44.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.53 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 91.7 37.98 5.96 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 3.4 mm -118.81 117.39 33.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 110.567 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -47.93 135.01 23.58 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.817 2.345 . . . . 0.0 112.13 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 87.3 m -154.51 145.87 23.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.565 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . 0.445 ' C ' ' SD ' ' B' ' 370' ' ' MET . 27.4 m -135.15 154.57 36.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.593 ' O ' ' N ' ' B' ' 174' ' ' LEU . 1.2 mmm -132.53 163.87 27.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.672 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 95.21 -2.64 65.84 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.7 112.79 0.9 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.775 0.321 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.04 31.7 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.536 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 5.8 tt -109.56 143.95 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.631 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 20.1 mp0 -71.39 109.8 6.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.602 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 50.1 Cg_exo -48.74 -35.01 29.24 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.78 2.32 . . . . 0.0 112.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 60.6 m -53.08 -39.22 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 86.7 t -69.11 -36.87 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.778 HD13 HD22 ' B' ' 384' ' ' LEU . 55.9 mt -71.06 -27.2 63.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.775 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER -0.8 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.562 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.451 ' H ' ' HB3' ' B' ' 380' ' ' HIS . 2.7 ptp180 -93.07 -2.13 55.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . 0.82 HH22 ' CG ' ' B' ' 396' ' ' ASP . 1.3 ttp85 -63.95 159.03 20.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . 0.551 ' O ' ' NH1' ' B' ' 382' ' ' ARG . 1.2 p -86.17 131.38 34.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.778 HD22 HD13 ' B' ' 379' ' ' LEU . 27.2 tp -140.62 117.85 11.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.506 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 63.9 mt -101.06 120.13 50.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 5.9 m -109.57 135.45 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.618 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.2 t0 -121.33 95.44 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -53.24 -40.16 59.71 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -48.65 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.831 0.348 . . . . 0.0 110.523 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . 0.405 ' CZ ' ' OD2' ' B' ' 387' ' ' ASP . 91.1 mtm-85 -90.99 -7.54 51.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 47.94 62.21 4.33 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -152.4 167.38 28.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.34 125.46 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 2.5 mp -98.86 144.87 27.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.526 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.679 ' O ' ' C ' ' B' ' 396' ' ' ASP . 85.6 t -112.55 101.76 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.82 ' CG ' HH22 ' B' ' 382' ' ' ARG . 10.4 p-10 -7.75 77.54 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.657 ' N ' ' O ' ' B' ' 395' ' ' VAL . 47.4 Cg_endo -72.39 -144.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.787 2.325 . . . . 0.0 112.085 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . 0.476 ' H ' ' HB2' ' B' ' 397' ' ' PRO . 76.8 mm-40 -70.69 133.87 86.43 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.48 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -47.27 -29.6 9.7 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.853 2.369 . . . . 0.0 112.124 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 22.0 t -79.7 -47.37 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 401' ' ' LEU . 42.8 mt -58.31 -48.38 80.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -34.69 78.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.484 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -64.07 -50.64 67.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.56 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' B' ' 407' ' ' ARG . 3.8 tp10 -68.26 -44.77 74.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 404' ' ' GLU . 0.2 OUTLIER -39.28 -48.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.565 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -37.03 85.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' B' ' 404' ' ' GLU . 11.7 mtm180 -73.7 -33.34 64.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.56 -46.69 81.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.96 -39.16 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 93.5 p -74.98 -17.52 60.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.576 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.87 -100.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 1.127 ' O ' ' N ' ' B' ' 414' ' ' GLU . 63.9 tt0 -87.3 -93.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.678 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 0.81 ' O ' HG22 ' B' ' 413' ' ' ILE . 2.7 mp -22.06 60.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.61 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 1.127 ' N ' ' O ' ' B' ' 412' ' ' GLU . 3.2 mm-40 -71.46 -153.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . 0.476 ' H ' ' HB3' ' B' ' 414' ' ' GLU . 1.1 mt -81.54 -62.16 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 13.5 t -98.52 55.49 1.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.501 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -121.8 30.04 6.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 84.6 mt 54.9 71.33 0.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.606 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -88.09 153.87 20.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.533 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -135.88 -73.5 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.648 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' B' ' 422' ' ' ASP . 64.5 t0 -170.13 -111.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.617 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' B' ' 423' ' ' VAL . 60.7 m-20 -97.61 -133.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' B' ' 422' ' ' ASP . 12.6 m 28.75 -124.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.52 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 42.7 p-10 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.529 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptm . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.423 ' H ' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER -83.73 160.1 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.9 t -134.18 119.77 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -126.6 173.55 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.81 ' OE1' HD12 ' A' ' 80' ' ' ILE . 4.7 pt20 -160.82 136.58 8.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.502 HG23 ' OE1' ' A' ' 62' ' ' GLN . 85.7 m -83.92 124.09 30.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.667 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.3 t -125.01 126.71 71.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.46 124.72 30.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.0 mt -87.51 106.01 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 40.6 p -83.83 55.65 3.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' THR . 35.2 m120 66.01 19.16 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.487 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' HZ2' ' HA ' ' A' ' 15' ' ' MET . 2.2 tptp -160.37 102.54 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.583 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.668 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -67.45 0.96 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.56 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.632 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 116.53 32.19 1.66 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.69 ' SD ' ' HD2' ' A' ' 18' ' ' ARG . 16.9 ttt 91.93 1.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.602 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 1.088 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 11.2 p80 40.11 -179.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 21' ' ' MET . . . 52.03 -74.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.69 ' HD2' ' SD ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -49.65 -56.76 14.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.558 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.088 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 29.7 Cg_endo -66.3 -45.32 5.54 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.72 2.28 . . . . 0.0 112.076 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.594 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -68.82 -37.8 79.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.59 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' ALA . 2.0 tmt? -74.58 -39.45 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.596 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 19.4 mmtp -62.16 -36.5 82.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.564 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD13 HG23 ' A' ' 79' ' ' VAL . 13.5 tp -50.61 -45.0 57.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.647 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.585 ' N ' ' CD2' ' A' ' 24' ' ' PHE . 1.8 m-30 -57.95 -37.08 73.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -76.49 -32.6 58.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.813 HD12 ' CE1' ' A' ' 30' ' ' PHE . 3.4 mm? -69.49 -41.44 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.528 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.3 mtp -56.93 -33.16 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 24' ' ' PHE . 7.2 mm100 -78.59 -36.35 44.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.9 -29.74 50.36 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.813 ' CE1' HD12 ' A' ' 26' ' ' LEU . 16.6 m-85 -107.67 150.45 26.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.549 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 70.4 m-20 -95.15 97.26 9.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.549 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 164.94 154.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.552 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -99.38 130.63 45.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.585 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.3 t -107.97 134.34 50.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.439 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.31 137.81 41.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.2 mp -108.24 150.87 26.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.397 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.552 ' NE ' ' OE2' ' A' ' 43' ' ' GLU . 11.5 mtp180 -146.35 135.41 22.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -92.09 153.62 19.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -50.79 -28.59 9.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -67.77 -10.9 56.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.47 11.75 59.16 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.9 m -84.29 117.24 23.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.655 0.264 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.552 ' OE2' ' NE ' ' A' ' 37' ' ' ARG . 55.1 mm-40 -78.21 103.29 8.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.494 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.645 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.47 65.25 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -41.03 121.63 1.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.538 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.599 ' HB1' HD23 ' A' ' 23' ' ' LEU . . . -63.3 -9.33 11.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -99.91 27.4 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -146.05 123.86 11.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.605 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.3 m -63.89 -35.49 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.568 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.004 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -61.78 -35.88 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.58 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.645 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.53 -42.03 87.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.471 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.84 -39.5 81.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.569 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.004 ' HG ' ' O ' ' A' ' 50' ' ' ILE . 1.8 pp -64.46 -35.94 82.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.722 ' N ' HD12 ' A' ' 53' ' ' LEU . 1.1 tmm? -68.52 -35.96 78.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 9.4 mt -64.52 -35.24 80.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.574 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -52.81 -34.68 54.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 t -76.91 -6.5 52.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.93 28.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.603 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' HD22 ' A' ' 11' ' ' ASN . 0.0 OUTLIER -68.43 97.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.487 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.08 6.22 39.84 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.73 164.32 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.502 ' OE1' HG23 ' A' ' 6' ' ' THR . 1.2 tm0? -97.25 143.42 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.657 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.895 HD13 ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -131.13 160.84 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.494 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.617 ' N ' HG12 ' A' ' 63' ' ' ILE . 57.4 mp0 -122.89 101.01 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.854 HG23 HD11 ' A' ' 63' ' ' ILE . 21.7 t -80.93 127.9 39.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.49 139.04 53.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.71 130.57 30.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.63 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.463 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 63.7 m -123.67 128.84 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.532 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.546 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.51 161.0 8.58 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -46.54 -45.54 19.26 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.864 2.376 . . . . 0.0 112.156 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.546 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 3.4 mt-30 -93.07 4.89 53.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.448 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.546 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 9.5 pt-20 -35.79 -38.47 0.12 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 81.3 mt-10 -63.81 -48.37 77.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.8 mp0 -58.1 -50.19 74.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.35 -48.06 79.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.693 HD21 ' OE1' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -65.62 -43.86 88.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.536 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 80' ' ' ILE . . . -62.55 -42.31 99.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.19 99.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.533 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.647 HG11 HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -66.91 -41.89 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.81 HD12 ' OE1' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -65.41 -40.88 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.507 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.502 ' N ' ' CG2' ' A' ' 80' ' ' ILE . . . -63.85 -36.37 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.477 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.8 mt -73.66 -36.91 65.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.505 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.2 m-85 -69.31 -33.05 72.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.627 ' O ' ' HB2' ' A' ' 85' ' ' SER . 3.3 m120 -81.2 -8.77 59.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.626 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.627 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 29.2 m . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.606 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . 0.481 HH22 HD23 ' B' ' 401' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . 0.47 ' O ' ' CD ' ' B' ' 392' ' ' GLU . 50.2 mm -120.85 131.58 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -80.29 122.24 26.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.599 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.48 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -121.91 160.5 24.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.765 HD22 ' N ' ' B' ' 174' ' ' LEU . 2.8 mm? -83.25 112.13 36.45 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.491 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.07 119.71 6.35 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.758 2.305 . . . . 0.0 112.127 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . 0.427 ' HB1' ' CZ ' ' B' ' 362' ' ' ARG . . . -93.26 -42.51 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.445 ' HB2' ' HG2' ' B' ' 362' ' ' ARG . . . -133.2 111.09 12.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.4 155.74 1.17 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.772 2.314 . . . . 0.0 112.191 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 125.95 160.95 10.81 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . 0.417 ' O ' HG13 ' B' ' 180' ' ' VAL . 14.6 p -118.14 132.3 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.373 . . . . 0.0 110.584 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' B' ' 344' ' ' VAL . . . -136.05 135.15 39.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 11.9 pt -124.62 132.99 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.526 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.424 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 178.76 173.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . 0.405 ' HB2' ' CE2' ' B' ' 323' ' ' PHE . 42.0 mt-10 -79.77 158.92 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . . . . . . . . . . . -89.86 128.24 9.12 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . 0.465 ' O ' HG22 ' B' ' 326' ' ' VAL . 10.0 t90 -122.23 133.75 54.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 0.0 110.539 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . 0.551 ' OE1' ' O ' ' B' ' 326' ' ' VAL . 69.8 tp60 -116.43 119.1 34.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -58.63 132.62 54.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.532 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.51 ' O ' ' HG ' ' B' ' 191' ' ' LEU . . . -80.44 9.98 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.637 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . 0.447 ' C ' ' O ' ' B' ' 189' ' ' ALA . 38.6 m -36.78 114.78 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' B' ' 189' ' ' ALA . 57.9 mt -101.38 147.17 33.42 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.724 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.462 ' C ' ' N ' ' B' ' 194' ' ' MET . 49.6 Cg_endo -72.53 68.95 3.54 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.931 2.421 . . . . 0.0 112.058 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.05 -14.87 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.654 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . 0.533 ' N ' ' SD ' ' B' ' 194' ' ' MET . 0.0 OUTLIER -68.55 -45.36 72.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.668 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -100.2 -6.95 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.659 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -92.17 -13.49 30.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.425 ' O ' ' CD1' ' B' ' 198' ' ' TYR . 6.1 p -49.96 149.31 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.563 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' B' ' 197' ' ' VAL . 0.3 OUTLIER -173.39 103.08 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.575 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -140.08 169.36 17.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -73.31 -170.54 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 89.2 p -116.79 83.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.498 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.43 115.09 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.639 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 0.425 ' O ' ' OD1' ' B' ' 204' ' ' ASP . 0.5 OUTLIER -83.92 131.01 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.486 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.807 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 73.4 m-20 -149.87 93.74 3.91 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.654 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.54 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 35.5 Cg_endo -68.07 -26.99 36.36 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.791 2.327 . . . . 0.0 112.032 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -74.14 -44.63 52.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.463 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' B' ' 211' ' ' ARG . 9.7 mp -82.36 -37.21 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.807 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 77.2 mm-40 -69.7 -50.06 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.452 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . 0.551 ' NH2' ' CZ ' ' B' ' 259' ' ' PHE . 48.2 tpt85 -55.25 -47.57 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.388 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.05 -39.99 75.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.639 ' NH1' ' OE2' ' B' ' 269' ' ' GLU . 29.5 mtp180 -53.79 -42.16 68.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.371 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' B' ' 212' ' ' LEU . 2.3 mm? -65.28 -48.56 72.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.434 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 34.2 m -53.92 -49.02 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.389 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.33 -34.61 90.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.32 -42.18 65.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.737 0.303 . . . . 0.0 110.451 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.493 HD22 ' CZ ' ' B' ' 255' ' ' ARG . 3.9 tp -58.74 -49.14 78.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.464 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -51.84 -35.01 43.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -77.48 -34.26 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -82.47 -48.12 11.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.481 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.4 93.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.515 ' O ' ' HD3' ' B' ' 225' ' ' ARG . 98.1 m-20 -68.8 -31.27 70.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.514 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.679 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.2 OUTLIER -64.03 -37.86 88.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . 0.681 ' CD1' ' OG ' ' B' ' 246' ' ' SER . 0.0 OUTLIER -71.36 -49.92 37.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . 0.622 ' N ' ' CG ' ' B' ' 223' ' ' PHE . 4.4 ttm180 -51.18 -42.56 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.465 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . 0.724 ' O ' ' HG2' ' B' ' 229' ' ' ARG . 40.9 mtp180 -76.17 -31.28 58.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.49 ' HA ' ' HE ' ' B' ' 229' ' ' ARG . 0.2 OUTLIER -64.6 -69.93 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.472 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 87.6 p -52.75 -36.52 57.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.508 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -53.1 -54.0 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . 0.724 ' HG2' ' O ' ' B' ' 225' ' ' ARG . 9.9 ptt180 -74.01 -45.68 48.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.606 ' O ' ' N ' ' B' ' 234' ' ' ALA . 1.3 m-85 -52.45 -56.78 12.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -53.2 -34.11 55.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.469 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 229' ' ' ARG . . . -63.74 -26.46 68.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -121.61 -63.93 0.23 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.606 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -52.17 -172.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.577 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.584 ' O ' ' OG1' ' B' ' 238' ' ' THR . 4.7 pt20 -91.52 161.12 15.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -34.4 57.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -49.49 -58.42 5.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.584 ' OG1' ' O ' ' B' ' 235' ' ' GLN . 6.5 p -41.32 -63.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -52.97 -45.33 67.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.624 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.419 ' HB2' HH22 ' A' ' 18' ' ' ARG . . . -53.91 -40.55 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.635 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.576 HG22 ' N ' ' B' ' 242' ' ' PHE . 1.0 OUTLIER -65.42 -60.29 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.604 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.576 ' N ' HG22 ' B' ' 241' ' ' ILE . 1.7 m-85 -58.17 -53.89 53.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.668 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.04 -44.8 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 0.723 HD23 ' NH2' ' B' ' 294' ' ' ARG . 21.5 tp -69.3 -41.34 76.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.611 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.565 ' O ' ' N ' ' B' ' 248' ' ' LEU . 0.5 OUTLIER -70.81 -41.4 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . 0.681 ' OG ' ' CD1' ' B' ' 223' ' ' PHE . 44.1 m -43.81 -42.14 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.582 ' HA ' ' OG ' ' B' ' 250' ' ' SER . 2.2 t-80 -75.42 -10.79 59.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.848 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 6.2 tt -70.53 -47.15 61.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.538 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.817 ' HG ' ' N ' ' B' ' 250' ' ' SER . 0.7 OUTLIER -85.71 -37.16 19.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . 0.817 ' N ' ' HG ' ' B' ' 249' ' ' LEU . 54.0 p -64.14 -31.93 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.849 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 10.1 p30 -54.82 117.59 3.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . 0.423 ' H ' HG22 ' B' ' 252' ' ' THR . 0.6 OUTLIER -53.25 -6.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.621 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' B' ' 251' ' ' ASP . 14.1 ttp-105 -68.52 -58.73 3.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.659 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -47.68 82.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.561 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.493 ' CZ ' HD22 ' B' ' 216' ' ' LEU . 3.3 ttm180 -59.51 -46.04 89.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.698 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -54.98 -42.18 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 3.2 tt0 -63.4 -45.36 91.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.68 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.749 HD23 ' N ' ' B' ' 259' ' ' PHE . 2.2 tt -57.87 -51.0 71.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.704 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . 0.749 ' N ' HD23 ' B' ' 258' ' ' LEU . 26.6 m-85 -57.99 -32.8 68.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.562 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -58.37 -40.54 82.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.62 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.89 -36.56 80.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . 0.453 ' HA ' ' OG ' ' B' ' 266' ' ' SER . 54.4 t -69.33 -36.51 72.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.59 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -57.27 -21.26 33.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -85.79 -22.69 27.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 128.18 24.85 1.13 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . 0.453 ' OG ' ' HA ' ' B' ' 262' ' ' VAL . 26.9 p -100.68 162.47 12.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.616 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 3.1 m -107.38 155.32 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -54.19 -43.68 70.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.653 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.639 ' OE2' ' NH1' ' B' ' 211' ' ' ARG . 3.3 mp0 -44.66 -57.6 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.644 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -79.03 -37.02 40.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.561 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -57.08 -48.83 77.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.46 -36.08 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.647 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.522 ' CD ' ' C ' ' B' ' 273' ' ' LYS . 0.0 OUTLIER -79.87 -38.15 33.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.721 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 98.7 m -67.82 -56.44 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.558 ' CG1' ' N ' ' B' ' 276' ' ' ILE . 3.6 p -51.7 -44.96 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.508 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.558 ' N ' ' CG1' ' B' ' 275' ' ' VAL . 22.5 mm -65.61 -37.91 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 0.8 OUTLIER -67.1 -35.65 80.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.533 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -70.25 -36.31 74.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.651 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' B' ' 283' ' ' PHE . 1.8 m-85 -85.33 -14.36 46.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.494 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . 0.594 ' O ' ' HB3' ' B' ' 284' ' ' ALA . . . -74.79 -32.93 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.645 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.611 ' O ' ' HB2' ' B' ' 285' ' ' ALA . 6.4 mp0 -98.69 -39.92 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.614 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -58.77 -44.27 90.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.578 ' CD2' ' N ' ' B' ' 284' ' ' ALA . 0.0 OUTLIER -82.14 -33.02 29.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' B' ' 280' ' ' ALA . . . -85.79 1.09 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' B' ' 281' ' ' GLU . . . -81.17 -7.25 59.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.66 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.444 ' HG ' ' CD1' ' A' ' 53' ' ' LEU . 2.0 mm? -75.22 -178.73 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.629 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 75.4 m -101.59 -32.06 10.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.652 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.698 ' HB3' HD21 ' B' ' 291' ' ' LEU . 8.9 t70 -49.76 142.44 8.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -83.52 -37.67 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . 0.471 ' OH ' ' NH1' ' B' ' 294' ' ' ARG . 30.9 t80 -45.8 -29.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.467 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.957 HD13 HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -100.09 -63.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' B' ' 284' ' ' ALA . 0.1 OUTLIER -37.32 -41.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.447 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -72.46 -48.65 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.723 ' NH2' HD23 ' B' ' 244' ' ' LEU . 29.2 mtt180 -56.33 -19.42 14.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 294' ' ' ARG . . . -37.45 -50.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.42 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -47.41 -41.01 16.5 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' B' ' 294' ' ' ARG . 8.8 m-20 -65.53 -46.52 79.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.382 . . . . 0.0 110.497 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.81 -54.53 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.378 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -59.35 -36.5 75.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.42 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -62.32 -41.41 98.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.341 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' B' ' 301' ' ' LEU . 0.2 OUTLIER -54.33 -43.75 71.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.375 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.78 -41.72 99.21 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -45.01 94.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.862 0.363 . . . . 0.0 110.471 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.679 HH11 ' CD ' ' B' ' 222' ' ' GLU . 14.2 mmm-85 -63.47 -41.65 98.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.325 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . 0.585 ' O ' HD23 ' B' ' 309' ' ' LEU . 1.1 tp -65.61 -39.6 91.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.451 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' B' ' 306' ' ' LEU . 0.5 OUTLIER -65.57 -37.83 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.36 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -67.25 -42.53 83.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.359 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 5.9 m-70 -69.48 -27.34 65.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.452 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.585 HD23 ' O ' ' B' ' 305' ' ' LEU . 0.9 OUTLIER -60.28 -15.35 24.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.589 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 313' ' ' ASN . 25.6 m-20 -110.73 111.65 22.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.504 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' B' ' 312' ' ' ALA . 3.4 p30 -39.04 -33.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.522 ' N ' ' OD1' ' B' ' 311' ' ' ASP . . . -64.34 -47.83 77.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.49 ' C ' ' O ' ' B' ' 312' ' ' ALA . 49.4 t30 32.4 -123.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . 0.477 ' H ' ' CG ' ' B' ' 313' ' ' ASN . 2.0 tp-100 -146.62 159.64 43.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -83.79 -151.57 12.23 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' B' ' 317' ' ' ASN . 52.6 Cg_endo -73.01 -167.75 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.798 2.332 . . . . 0.0 112.189 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . 0.524 ' O ' ' CD1' ' B' ' 319' ' ' TRP . 88.1 m-20 -37.85 -67.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.688 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . 55.94 21.06 4.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' B' ' 317' ' ' ASN . 89.4 m95 -99.65 158.71 31.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 0.707 ' O ' ' HG3' ' B' ' 342' ' ' ARG . 52.7 Cg_endo -73.33 145.61 38.77 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.778 2.319 . . . . 0.0 112.129 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -72.96 -11.26 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 6.5 tpp85 -142.83 127.18 17.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.516 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 171.97 156.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.497 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' B' ' 325' ' ' LEU . 8.5 mt -110.22 156.13 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.481 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.475 ' N ' ' CG2' ' B' ' 324' ' ' ILE . 13.7 tp -102.85 125.59 49.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.551 ' O ' ' OE1' ' B' ' 187' ' ' GLN . 0.6 OUTLIER -119.28 98.92 6.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.527 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -125.38 155.07 40.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . 0.592 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 6.3 p-10 -68.58 -30.88 69.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.544 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 329' ' ' GLU . 0.3 OUTLIER -148.01 132.86 18.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' B' ' 357' ' ' ALA . 0.9 OUTLIER -74.44 118.41 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.575 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . 0.596 ' HB3' HG22 ' B' ' 333' ' ' THR . 75.1 m -128.63 134.83 48.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -49.49 -40.18 36.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.596 HG22 ' HB3' ' B' ' 331' ' ' SER . 2.0 t -48.6 -49.25 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . 0.516 ' N ' HG23 ' B' ' 333' ' ' THR . 8.7 m -60.53 -50.82 72.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 1.6 tp -50.16 -45.57 53.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -78.78 14.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -102.6 -37.02 8.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 1.193 HD22 ' O ' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -126.94 136.05 28.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.639 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . 0.634 ' O ' ' CD2' ' B' ' 338' ' ' LEU . 52.2 Cg_exo -47.9 147.16 7.79 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.84 2.36 . . . . 0.0 112.077 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -73.6 -22.27 60.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.16 -42.92 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.707 ' HG3' ' O ' ' B' ' 320' ' ' PRO . 3.8 mpt_? -77.0 -4.09 42.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' B' ' 343' ' ' LEU . 23.0 tp -97.18 100.08 11.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.485 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.582 ' O ' ' HB1' ' B' ' 181' ' ' ALA . 17.4 m -107.25 14.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.624 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 160.77 144.91 4.13 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.74 HG13 HG23 ' B' ' 368' ' ' THR . 3.6 p -138.63 152.45 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 0.0 110.606 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . 0.449 HG13 HG12 ' B' ' 326' ' ' VAL . 0.8 OUTLIER -144.74 126.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.558 HG12 ' H ' ' B' ' 350' ' ' ASP . 15.6 t -111.03 154.72 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -87.63 -31.84 19.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.665 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.558 ' H ' HG12 ' B' ' 348' ' ' VAL . 58.6 t0 -142.8 -102.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.558 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 25.71 72.34 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . 0.759 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -90.75 178.52 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.606 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 89.8 -174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.604 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . 0.553 ' O ' ' O ' ' B' ' 355' ' ' SER . 38.1 m-20 -62.72 -42.46 99.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . 0.553 ' O ' ' O ' ' B' ' 354' ' ' ASN . 0.1 OUTLIER 54.65 148.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.52 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' B' ' 360' ' ' MET . 29.8 mt-30 -67.59 -41.26 84.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.605 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . 0.42 ' HB1' HD22 ' B' ' 330' ' ' LEU . . . -80.9 -48.64 12.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.625 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' B' ' 354' ' ' ASN . . . -53.72 -48.36 69.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.52 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.47 HG23 ' N ' ' B' ' 360' ' ' MET . 15.0 tt -61.79 -40.52 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . 0.47 ' N ' HG23 ' B' ' 359' ' ' ILE . 55.6 mtm -69.74 -44.04 71.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.521 HG12 ' N ' ' B' ' 362' ' ' ARG . 0.5 OUTLIER -62.63 -42.06 94.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.622 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.521 ' N ' HG12 ' B' ' 361' ' ' VAL . 2.8 mtt180 -62.65 -45.12 94.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.51 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.417 ' HB3' ' OE1' ' B' ' 235' ' ' GLN . . . -66.04 -27.88 68.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' B' ' 364' ' ' LEU . 4.9 tp -69.78 -26.18 64.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 89.44 31.21 11.88 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 2.2 mm -105.58 122.7 41.83 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.29 129.64 16.17 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.841 2.36 . . . . 0.0 112.205 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . 0.74 HG23 HG13 ' B' ' 346' ' ' VAL . 98.3 m -148.69 151.26 34.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 4.0 p -146.95 149.37 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.546 ' O ' ' N ' ' B' ' 174' ' ' LEU . 2.3 mtt -133.47 163.54 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 107.52 2.52 35.14 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.03 109.09 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 110.548 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . 0.636 ' C ' HD13 ' B' ' 374' ' ' ILE . 22.1 p30 -99.46 34.3 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.737 ' N ' HD13 ' B' ' 374' ' ' ILE . 0.0 OUTLIER -105.37 163.86 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.553 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 20.1 mp0 -80.68 118.66 73.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.608 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.44 -40.79 29.37 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.846 2.364 . . . . 0.0 112.122 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 35.3 t -53.3 -54.89 29.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.597 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 69.4 t -57.51 -42.05 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.414 ' C ' ' H ' ' B' ' 381' ' ' ARG . 3.9 mp -64.4 -35.9 82.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.706 ' CG ' ' O ' ' B' ' 380' ' ' HIS . 6.6 t60 -76.86 39.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.567 ' C ' ' HG2' ' B' ' 382' ' ' ARG . 0.3 OUTLIER -161.3 12.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.519 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . 0.567 ' HG2' ' C ' ' B' ' 381' ' ' ARG . 13.9 mmt85 -148.05 175.52 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 21.8 m -84.61 141.94 30.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.621 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.758 ' C ' HD13 ' B' ' 385' ' ' ILE . 13.2 mt -115.08 140.47 49.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.444 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . 0.758 HD13 ' C ' ' B' ' 384' ' ' LEU . 0.2 OUTLIER -130.46 95.54 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.533 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 38.3 t -82.1 141.78 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.695 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.678 ' O ' ' N ' ' B' ' 391' ' ' GLY . 60.1 t0 -139.16 81.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.587 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -51.61 -39.46 45.83 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -55.5 -50.99 68.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.572 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . 0.484 ' NH2' ' OD2' ' B' ' 422' ' ' ASP . 34.5 ttp180 -93.95 -11.89 29.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 55.0 47.06 75.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . 0.47 ' CD ' ' O ' ' B' ' 171' ' ' ILE . 1.0 OUTLIER -127.17 160.53 30.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.712 0.291 . . . . 0.0 110.581 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.45 ' C ' HD22 ' B' ' 394' ' ' LEU . 12.3 tp -125.23 115.48 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.961 HD22 ' N ' ' B' ' 394' ' ' LEU . 1.4 mm? -96.69 154.77 17.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.587 ' O ' ' C ' ' B' ' 396' ' ' ASP . 18.4 m -123.28 91.07 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.587 ' C ' ' O ' ' B' ' 395' ' ' VAL . 16.6 p-10 23.72 56.21 0.3 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.631 ' HG2' HD21 ' B' ' 402' ' ' LEU . 40.4 Cg_endo -70.51 -173.29 0.79 Allowed 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.737 2.291 . . . . 0.0 112.152 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -50.06 143.62 12.06 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -72.82 -28.51 13.48 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.848 2.365 . . . . 0.0 112.16 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . 0.601 HG13 ' N ' ' B' ' 401' ' ' LEU . 13.9 p -72.7 -47.35 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.579 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.601 ' N ' HG13 ' B' ' 400' ' ' VAL . 7.0 tp -58.77 -42.07 88.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.646 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . 0.631 HD21 ' HG2' ' B' ' 397' ' ' PRO . 84.7 mt -65.08 -30.71 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.571 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -62.72 -51.46 67.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.506 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -71.53 -36.81 71.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.465 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -51.03 -43.9 60.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' B' ' 410' ' ' SER . 57.5 tt0 -63.63 -38.57 91.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.55 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.445 ' HA ' ' OG ' ' B' ' 410' ' ' SER . 7.9 mtp180 -74.48 -34.18 63.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.581 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 39.1 mt -63.47 -46.91 84.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . 0.459 HG13 ' N ' ' B' ' 410' ' ' SER . 38.5 pt -75.9 -31.84 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.492 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . 0.459 ' N ' HG13 ' B' ' 409' ' ' ILE . 52.5 p -75.65 -20.0 58.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.593 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -56.79 -93.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.65 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 178.51 25.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 0.613 ' O ' ' N ' ' B' ' 415' ' ' LEU . 7.6 pt -113.95 -122.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.67 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' B' ' 413' ' ' ILE . 1.1 mm-40 24.77 -88.01 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.57 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . 0.83 HD23 ' H ' ' B' ' 415' ' ' LEU . 0.1 OUTLIER -51.87 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.626 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 71.1 m -47.18 -31.41 3.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' B' ' 414' ' ' GLU . 0.3 OUTLIER -127.08 71.4 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.631 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . 0.748 ' O ' ' HB2' ' B' ' 419' ' ' ALA . 0.3 OUTLIER -42.65 162.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.55 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' B' ' 418' ' ' LEU . . . 154.1 -21.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' B' ' 421' ' ' ASP . 11.9 tm-20 67.44 101.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.5 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' B' ' 423' ' ' VAL . 53.2 p-10 -92.07 -145.09 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.669 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.484 ' OD2' ' NH2' ' B' ' 390' ' ' ARG . 86.1 m-20 57.04 8.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.493 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' B' ' 422' ' ' ASP . 35.5 m 32.4 -144.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.627 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.519 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.5 t -84.6 159.16 20.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.573 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.536 HG21 ' OE2' ' A' ' 72' ' ' GLU . 69.0 t -133.2 120.36 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.6 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 5' ' ' GLN . 46.6 pttt -127.61 171.24 11.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.641 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 62.8 mt-30 -158.82 135.0 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.537 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.461 HG22 ' OE2' ' A' ' 8' ' ' GLU . 73.9 m -81.95 124.29 29.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.4 t -125.16 127.08 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.461 ' OE2' HG22 ' A' ' 6' ' ' THR . 2.8 mm-40 -83.43 125.92 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.7 mt -88.95 105.29 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 1.24 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 57.6 p -83.4 56.62 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 1.24 ' OD1' ' O ' ' A' ' 10' ' ' THR . 2.6 p-10 63.83 24.57 13.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.501 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -165.58 99.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.751 HD13 ' O ' ' A' ' 13' ' ' LEU . 1.1 tm? -61.03 -11.54 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.564 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.45 -89.7 0.11 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.643 ' O ' ' N ' ' A' ' 17' ' ' ALA . 10.1 mtm -133.57 -164.74 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.585 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.704 ' C ' ' H ' ' A' ' 18' ' ' ARG . 8.0 t-80 -58.08 68.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.56 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.643 ' N ' ' O ' ' A' ' 15' ' ' MET . . . 55.88 -7.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.503 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' H ' ' C ' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -43.77 -53.1 13.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.621 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 51.8 Cg_exo -47.87 -49.17 14.27 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.796 2.331 . . . . 0.0 112.166 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.05 87.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.432 ' SD ' HD12 ' B' ' 244' ' ' LEU . 10.2 tpt -64.94 -40.68 95.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.502 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -64.06 -37.71 88.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.818 HD21 HG12 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -50.22 -45.54 53.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.611 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -56.92 -39.45 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.566 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -73.85 -33.91 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.65 -43.12 81.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.49 ' SD ' HG12 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -54.6 -33.68 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -79.26 -34.58 42.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.67 -31.05 41.78 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -106.04 153.24 22.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.511 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 10.2 m-20 -97.38 94.1 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 167.64 155.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 2.3 mm-40 -100.3 130.23 46.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.808 HG11 HD12 ' A' ' 23' ' ' LEU . 8.7 p -107.37 132.87 53.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -134.53 136.38 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.802 ' N ' HD12 ' A' ' 36' ' ' LEU . 3.6 mp -106.06 151.23 24.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -147.72 133.87 19.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.658 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.942 ' ND2' ' H ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -91.02 156.12 18.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.63 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -53.21 -28.45 26.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.659 ' CA ' HD21 ' A' ' 38' ' ' ASN . 2.9 tp10 -67.47 -10.22 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.609 ' N ' ' ND2' ' A' ' 38' ' ' ASN . . . 91.53 12.32 59.74 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.942 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 68.7 m -85.21 116.57 23.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.643 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.488 ' OE1' ' CG ' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -77.47 103.65 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.569 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.641 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.9 64.98 6.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' CG ' ' OE1' ' A' ' 43' ' ' GLU . 41.8 mt-10 -40.26 121.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.705 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -63.16 -9.7 12.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.727 ' C ' HD22 ' A' ' 47' ' ' ASN . 0.3 OUTLIER -99.81 27.54 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -145.63 124.48 12.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.559 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 p -64.13 -36.13 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.52 HG12 ' N ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -61.29 -37.15 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.641 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.21 -42.01 93.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 52' ' ' LEU . 93.1 mt -59.55 -38.39 80.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.183 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -65.82 -33.49 75.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.601 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.955 ' N ' HD13 ' A' ' 53' ' ' LEU . 1.2 tpt -71.81 -34.67 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD21 ' HG ' ' A' ' 13' ' ' LEU . 3.3 tt -64.86 -34.46 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.594 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -34.79 61.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.88 -6.62 51.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.708 ' HB2' HH11 ' A' ' 61' ' ' ARG . . . -83.25 28.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.612 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -68.72 97.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.01 5.89 40.43 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.708 HH11 ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -105.83 165.27 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.549 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.91 142.47 30.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 38' ' ' ASN . 40.6 pt -130.17 162.34 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.584 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.684 ' O ' ' OE1' ' A' ' 66' ' ' GLU . 41.8 tt0 -124.55 100.82 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.503 ' HB ' HD21 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -80.56 128.23 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.538 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.684 ' OE1' ' O ' ' A' ' 64' ' ' GLU . 3.9 pm0 -120.88 138.01 54.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.554 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.54 131.92 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.465 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 73.1 m -124.91 128.28 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 72' ' ' GLU . . . 142.84 162.54 9.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -47.28 -45.82 21.26 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.828 2.352 . . . . 0.0 112.124 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.7 mp0 -92.76 5.26 51.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.655 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.586 ' OE1' ' C ' ' A' ' 72' ' ' GLU . 1.3 pp20? -35.57 -38.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.565 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 5.9 tp10 -63.98 -49.56 72.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.548 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' GLN . 14.3 mp0 -56.96 -51.17 70.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.621 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.019 ' O ' HG13 ' A' ' 79' ' ' VAL . . . -56.04 -49.36 73.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.952 ' O ' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -64.67 -44.11 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.531 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.0 99.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.48 -43.9 98.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.019 HG13 ' O ' ' A' ' 75' ' ' ALA . 2.5 m -66.44 -42.75 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -64.72 -41.75 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.472 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.521 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.73 -35.3 80.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.457 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 36.6 mt -74.16 -37.73 63.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.507 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.475 ' N ' ' CD2' ' A' ' 83' ' ' PHE . 10.3 m-30 -69.78 -31.87 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.458 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 85' ' ' SER . 93.0 m-20 -82.39 -3.46 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.57 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . 0.525 ' HB ' HD23 ' B' ' 393' ' ' LEU . 4.7 mp -126.32 150.04 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.6 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.539 HH12 ' CZ ' ' B' ' 390' ' ' ARG . 7.5 mmt180 -100.95 128.03 47.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.958 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -128.39 158.72 37.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.552 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.472 ' O ' ' HG3' ' B' ' 370' ' ' MET . 11.8 mt -69.8 115.62 35.33 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.88 102.0 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.78 2.32 . . . . 0.0 112.139 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -78.1 -35.83 48.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.464 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -143.25 135.79 13.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.66 148.35 46.95 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.72 2.28 . . . . 0.0 112.132 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 130.09 164.3 11.32 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . 0.458 HG12 ' N ' ' B' ' 181' ' ' ALA . 61.3 t -105.03 156.46 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.568 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . 0.458 ' N ' HG12 ' B' ' 180' ' ' VAL . . . -146.78 126.23 13.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.619 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . 0.569 HG23 ' O ' ' B' ' 182' ' ' ILE . 17.2 tt -132.71 119.52 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.56 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 175.9 -178.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.466 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -77.83 152.33 33.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.619 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -92.14 142.34 15.99 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . 0.48 ' CE3' ' O ' ' B' ' 187' ' ' GLN . 9.9 t90 -148.82 140.52 23.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 110.617 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . 0.48 ' O ' ' CE3' ' B' ' 186' ' ' TRP . 16.6 pt20 -74.54 152.22 39.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -53.04 169.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -71.31 46.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 86.2 m -120.79 126.8 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.53 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 9.5 mt -131.53 118.16 16.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.6 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -47.9 114.15 1.01 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.818 2.346 . . . . 0.0 112.092 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.578 ' O ' ' N ' ' B' ' 195' ' ' GLU . 2.6 tp -131.55 -48.12 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . 0.414 ' C ' ' O ' ' B' ' 193' ' ' LEU . 64.1 mtt -37.94 -23.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' B' ' 193' ' ' LEU . 76.3 mm-40 -66.95 -21.43 65.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -69.49 34.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.52 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' B' ' 195' ' ' GLU . 2.0 p -73.65 105.23 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . 0.721 ' CE1' ' HB2' ' B' ' 200' ' ' ALA . 10.5 p90 -126.09 178.24 5.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.485 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . 0.666 ' O ' ' CD1' ' B' ' 198' ' ' TYR . 13.3 tm0? -80.77 139.86 35.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.487 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . 0.721 ' HB2' ' CE1' ' B' ' 198' ' ' TYR . . . -177.53 118.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 10.1 m -123.25 88.32 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . 0.752 ' C ' HD13 ' B' ' 203' ' ' LEU . 3.4 m -142.53 90.24 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.673 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 1.194 HD13 ' N ' ' B' ' 203' ' ' LEU . 0.0 OUTLIER -86.09 142.26 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.461 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.772 ' HB2' ' HG2' ' B' ' 208' ' ' GLU . 75.9 m-20 -147.72 101.9 3.69 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -70.59 -2.82 11.38 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.629 2.22 . . . . 0.0 112.061 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' B' ' 210' ' ' GLU . . . -113.24 -39.0 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.483 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . 0.858 ' O ' ' HB3' ' B' ' 211' ' ' ARG . 0.8 OUTLIER -88.91 -33.57 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.469 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.772 ' HG2' ' HB2' ' B' ' 204' ' ' ASP . 69.2 mm-40 -76.51 -44.64 34.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -70.34 -48.34 56.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.637 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . 0.421 ' O ' HG22 ' B' ' 213' ' ' THR . 6.7 tm-20 -67.25 -43.37 82.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.456 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.858 ' HB3' ' O ' ' B' ' 207' ' ' LEU . 0.1 OUTLIER -64.13 -33.45 75.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.452 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.604 ' N ' ' HG3' ' B' ' 211' ' ' ARG . 2.1 mt -69.24 -62.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.499 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . 0.621 HG23 ' N ' ' B' ' 214' ' ' GLY . 6.2 t -45.02 -50.49 10.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . 0.621 ' N ' HG23 ' B' ' 213' ' ' THR . . . -57.68 -37.19 82.29 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.14 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.496 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.726 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.9 mp -54.24 -49.87 68.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 0.7 OUTLIER -50.66 -35.88 32.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.442 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.62 -38.22 48.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -85.77 -50.62 7.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.68 -49.34 73.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.562 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.63 ' C ' ' HE ' ' B' ' 225' ' ' ARG . 96.9 m-20 -63.0 -34.74 78.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.476 ' OE2' ' CZ ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -60.78 -43.16 98.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . 0.433 ' N ' ' HG2' ' B' ' 222' ' ' GLU . 24.5 m-85 -64.92 -45.87 84.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.655 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . 0.535 ' NH1' ' OD1' ' B' ' 221' ' ' ASN . 5.0 mtp180 -65.67 -37.53 86.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.478 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . 0.63 ' HE ' ' C ' ' B' ' 221' ' ' ASN . 80.3 mtm180 -71.72 -32.13 67.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 8.1 m-30 -64.91 -52.51 56.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.477 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 2.2 p -53.74 -50.44 65.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.457 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -40.44 75.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -71.91 -41.7 67.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.528 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' B' ' 234' ' ' ALA . 21.2 m-85 -69.62 -41.42 75.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.632 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -50.46 -33.5 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.471 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.62 -22.64 62.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -129.87 -65.65 0.11 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -51.27 164.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.486 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.581 HE21 ' HB3' ' B' ' 237' ' ' GLU . 8.7 pt20 -71.44 -176.62 1.58 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -72.94 -38.67 66.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.505 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.581 ' HB3' HE21 ' B' ' 235' ' ' GLN . 41.3 tt0 -47.18 -54.94 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.479 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -52.5 -61.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.613 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -50.99 -41.8 59.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.21 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' B' ' 238' ' ' THR . 5.8 mm -66.21 -66.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.504 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.574 ' O ' ' N ' ' B' ' 245' ' ' TYR . 11.1 m-85 -54.49 -60.83 2.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' B' ' 242' ' ' PHE . 63.9 t0 -35.33 -41.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' B' ' 244' ' ' LEU . 14.4 tp -67.56 -41.27 84.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.58 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' B' ' 242' ' ' PHE . 19.5 m-30 -63.2 -48.17 79.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.575 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.9 -46.74 52.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.614 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -70.66 -34.01 71.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.537 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.864 HD12 ' O ' ' B' ' 248' ' ' LEU . 0.1 OUTLIER -69.12 -39.41 78.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.604 ' N ' ' HG ' ' B' ' 248' ' ' LEU . 16.9 tp -75.88 -42.39 49.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.628 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 88.6 p -71.99 -14.22 61.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.799 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 44.9 p30 -51.89 133.32 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 71.0 p -60.55 -2.31 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.467 ' H ' ' C ' ' B' ' 251' ' ' ASP . 48.4 ttt85 -77.88 -49.36 14.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.537 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . 0.439 HD23 ' O ' ' B' ' 254' ' ' LEU . 2.1 tt -73.23 -45.73 54.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.558 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.426 HH21 ' HD2' ' B' ' 255' ' ' ARG . 9.3 ttm180 -57.45 -48.62 78.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -56.97 -43.09 81.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.594 ' OE2' ' CZ ' ' B' ' 279' ' ' PHE . 27.4 mt-10 -56.61 -45.9 81.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.602 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.61 HD23 HG21 ' B' ' 275' ' ' VAL . 80.2 mt -54.39 -60.98 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -57.24 -34.32 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.32 92.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -69.04 -40.45 78.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 64.4 t -66.83 -38.34 81.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -58.96 -17.16 22.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.527 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -93.22 -19.51 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.534 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 119.95 30.3 1.51 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 34.0 m -107.35 156.57 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.54 143.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.675 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -53.39 -59.1 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.541 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' B' ' 268' ' ' ALA . 2.5 mp0 -32.2 -50.41 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 -35.28 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.607 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -54.42 -46.44 73.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.862 ' O ' HG23 ' B' ' 276' ' ' ILE . 18.8 m -67.21 -30.77 50.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -74.64 -42.97 57.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 93.5 m -66.58 -52.26 47.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.61 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.61 HG21 HD23 ' B' ' 258' ' ' LEU . 71.2 t -52.73 -58.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.862 HG23 ' O ' ' B' ' 272' ' ' VAL . 28.4 pt -56.18 -39.51 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.599 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.587 ' N ' HG13 ' B' ' 276' ' ' ILE . 43.3 tp10 -66.72 -38.23 86.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' B' ' 282' ' ' GLN . 5.2 ttpt -76.68 -22.07 54.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.623 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . 0.594 ' CZ ' ' OE2' ' B' ' 257' ' ' GLU . 0.6 OUTLIER -85.41 -34.8 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.622 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . 0.675 ' O ' ' CB ' ' B' ' 284' ' ' ALA . . . -72.76 -34.34 66.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.665 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' B' ' 281' ' ' GLU . 0.2 OUTLIER -78.58 -42.32 29.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.607 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . 0.528 ' HB3' ' CE2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -46.76 -56.2 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.528 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.644 ' N ' ' CD2' ' B' ' 283' ' ' PHE . 0.1 OUTLIER -79.01 -42.36 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.649 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . 0.71 ' HB2' ' CB ' ' B' ' 295' ' ' ALA . . . -61.27 6.94 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . 0.577 ' H ' ' C ' ' B' ' 283' ' ' PHE . . . -104.54 -3.49 23.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 1.056 HD22 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -86.23 -167.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.653 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 78.2 p -109.28 -24.45 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.452 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.711 ' O ' ' HB2' ' B' ' 292' ' ' LYS . 4.1 m-20 -50.88 100.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.668 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -70.9 -43.03 69.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . 0.576 ' CD2' ' CD2' ' B' ' 291' ' ' LEU . 5.1 t80 -60.41 -31.51 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.436 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.953 ' HB3' HD23 ' A' ' 53' ' ' LEU . 3.6 mm? -102.61 -34.49 9.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.711 ' HB2' ' O ' ' B' ' 288' ' ' ASP . 3.1 tttp -41.8 -52.98 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . 0.502 ' CD ' HE21 ' B' ' 356' ' ' GLN . 4.8 tt0 -43.27 -29.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.597 ' HB2' ' O ' ' B' ' 291' ' ' LEU . 9.4 tpp180 -40.24 -43.1 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.351 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . 0.71 ' CB ' ' HB2' ' B' ' 284' ' ' ALA . . . -57.59 -45.79 84.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.316 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -53.84 -45.39 70.28 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.511 ' CG ' ' OH ' ' B' ' 245' ' ' TYR . 3.7 m-20 -62.71 -39.03 92.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 110.284 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . 0.445 HD11 ' CD2' ' B' ' 248' ' ' LEU . 6.0 mp -60.29 -49.48 77.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.3 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -54.04 -44.82 71.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.216 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.432 ' CB ' HG21 ' B' ' 333' ' ' THR . . . -63.96 -38.22 90.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.173 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.546 HD21 HD13 ' B' ' 249' ' ' LEU . 4.1 tt -63.85 -40.3 96.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.205 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.23 -41.86 99.62 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -54.34 -41.66 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.476 ' CZ ' ' OE2' ' B' ' 222' ' ' GLU . 1.5 mmm180 -68.55 -41.6 79.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.237 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.77 -39.74 84.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.296 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . 0.514 HD23 ' O ' ' B' ' 306' ' ' LEU . 2.4 tt -69.07 -38.73 79.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.399 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . 0.542 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.9 m-85 -68.88 -41.64 78.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.425 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.452 ' C ' ' N ' ' B' ' 310' ' ' ASP . 42.2 m-70 -70.92 -28.38 64.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.349 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' B' ' 309' ' ' LEU . 9.4 tp -48.63 -13.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.524 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.77 ' O ' ' N ' ' B' ' 312' ' ' ALA . 0.0 OUTLIER -133.84 92.17 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -37.93 -13.8 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.478 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.77 ' N ' ' O ' ' B' ' 310' ' ' ASP . . . -73.48 -7.17 50.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' B' ' 310' ' ' ASP . 6.4 t30 -80.72 101.39 9.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 173.47 167.3 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.54 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . 0.766 ' H ' HD22 ' B' ' 317' ' ' ASN . . . 135.38 -91.83 0.23 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -47.61 7.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.867 2.378 . . . . 0.0 112.136 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . 0.766 HD22 ' H ' ' B' ' 315' ' ' GLY . 67.1 m-80 -58.31 -27.79 64.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.651 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -51.22 92.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.629 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.695 ' CD1' ' O ' ' B' ' 317' ' ' ASN . 1.2 m-90 -86.84 127.43 59.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.432 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 0.432 ' CG ' ' CD1' ' B' ' 323' ' ' PHE . 52.4 Cg_endo -73.2 173.8 13.12 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.762 2.308 . . . . 0.0 112.036 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' B' ' 321' ' ' GLU . 11.7 pt-20 -86.18 -15.17 41.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.728 ' O ' ' HD1' ' B' ' 323' ' ' PHE . 20.7 mmm-85 -138.5 101.59 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.628 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.728 ' HD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER -150.24 154.01 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.599 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.56 HG13 ' HB3' ' B' ' 183' ' ' ALA . 56.4 mt -115.78 137.44 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.653 ' C ' HD23 ' B' ' 325' ' ' LEU . 6.9 tt -94.56 122.69 37.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.647 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.562 ' N ' HD23 ' B' ' 325' ' ' LEU . 34.4 t -119.25 118.51 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -140.24 136.9 33.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 51.7 p30 -64.27 -20.48 66.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.471 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.529 ' OE2' ' O ' ' B' ' 330' ' ' LEU . 13.3 tm-20 -138.74 138.29 37.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.556 HD21 ' CG1' ' B' ' 348' ' ' VAL . 98.5 mt -82.78 118.86 23.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.4 122.07 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.431 ' N ' ' HB2' ' B' ' 357' ' ' ALA . . . -60.51 -41.88 95.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.432 HG21 ' CB ' ' B' ' 300' ' ' ALA . 1.2 t -52.89 -33.57 50.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.61 -50.18 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' B' ' 337' ' ' GLU . 5.5 mp -61.42 -23.15 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.602 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.41 11.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.693 ' C ' HD22 ' B' ' 338' ' ' LEU . 39.5 mt-10 -106.74 -34.23 7.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.845 ' N ' HD22 ' B' ' 338' ' ' LEU . 2.7 mm? -104.73 141.74 23.18 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.77 162.18 41.85 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.753 2.302 . . . . 0.0 112.157 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -70.64 -16.16 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.35 -39.75 64.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.472 HH11 HD23 ' B' ' 343' ' ' LEU . 0.1 OUTLIER -80.54 -25.63 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.566 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.472 HD23 HH11 ' B' ' 342' ' ' ARG . 90.4 mt -79.19 102.72 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 1.1 m -116.03 4.15 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 177.94 151.35 9.25 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 69.1 t -135.36 145.52 31.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.341 . . . . 0.0 110.6 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 61.9 t -147.13 120.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.556 ' CG1' HD21 ' B' ' 330' ' ' LEU . 0.4 OUTLIER -119.26 153.03 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.512 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . 0.402 ' N ' HG23 ' B' ' 348' ' ' VAL . 36.9 ttm-85 -86.25 -42.33 13.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.537 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.424 ' O ' ' CG2' ' B' ' 348' ' ' VAL . 5.3 p-10 -133.53 -116.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.548 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.417 ' N ' ' OD2' ' B' ' 350' ' ' ASP . . . 64.3 160.24 0.39 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -69.2 153.42 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.11 -11.1 55.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -131.56 47.25 2.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 5.3 p -85.51 165.73 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . 0.502 HE21 ' CD ' ' B' ' 293' ' ' GLU . 16.0 pt20 -54.88 -37.47 66.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . 0.431 ' HB2' ' N ' ' B' ' 332' ' ' ALA . . . -77.88 -33.73 51.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.636 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.96 99.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.576 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.417 HG22 ' O ' ' B' ' 356' ' ' GLN . 8.9 tt -73.74 -24.89 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.494 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . 0.431 ' O ' HD23 ' B' ' 364' ' ' LEU . 12.0 ttt -70.19 -48.28 57.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.642 HG11 ' OG1' ' B' ' 368' ' ' THR . 46.1 t -66.48 -44.35 90.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' B' ' 363' ' ' ALA . 0.0 OUTLIER -60.98 -46.43 90.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.628 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.543 ' N ' ' HG2' ' B' ' 362' ' ' ARG . . . -66.27 -29.25 69.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.581 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . 0.431 HD23 ' O ' ' B' ' 360' ' ' MET . 0.8 OUTLIER -66.75 -26.8 67.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.507 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.49 22.14 24.99 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . 0.766 HG23 ' HD2' ' B' ' 367' ' ' PRO . 1.3 mm -104.35 143.22 26.25 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.546 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . 0.766 ' HD2' HG23 ' B' ' 366' ' ' ILE . 50.3 Cg_endo -72.65 131.09 16.76 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.892 2.395 . . . . 0.0 112.083 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . 0.642 ' OG1' HG11 ' B' ' 361' ' ' VAL . 69.6 m -144.74 147.95 33.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.52 148.64 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.958 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 0.1 OUTLIER -126.6 167.11 16.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 92.47 -1.14 72.04 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -54.95 114.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' B' ' 373' ' ' ASP . 25.6 p-10 -83.66 27.36 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.619 HG21 HD21 ' B' ' 379' ' ' LEU . 25.5 mm -112.23 126.25 69.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -83.5 131.97 51.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . 0.641 ' HA ' HD12 ' B' ' 379' ' ' LEU . 52.8 Cg_exo -47.7 -28.24 9.15 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.858 2.372 . . . . 0.0 112.002 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 37.7 t -52.21 -48.8 64.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . 0.43 HG12 ' O ' ' B' ' 378' ' ' VAL . 3.5 t -88.71 27.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.614 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.649 ' O ' ' C ' ' B' ' 380' ' ' HIS . 96.9 mt -124.94 -19.67 5.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.565 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.738 ' CD2' ' H ' ' B' ' 381' ' ' ARG . 2.5 p-80 15.66 -85.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.738 ' H ' ' CD2' ' B' ' 380' ' ' HIS . 0.1 OUTLIER -140.85 24.29 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.683 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.76 168.52 4.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 1.7 m -78.47 129.14 34.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.572 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' B' ' 384' ' ' LEU . 5.1 mt -119.82 136.51 54.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.592 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 96.7 mt -136.58 110.75 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.532 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 18.8 m -124.79 158.59 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.629 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.548 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.5 t0 -138.37 108.84 6.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -54.95 -37.25 62.04 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -60.14 -50.65 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . 0.539 ' CZ ' HH12 ' B' ' 172' ' ' ARG . 15.6 mmm180 -88.49 -8.14 55.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.582 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 47.23 49.87 18.13 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . 1.009 ' C ' HD13 ' B' ' 393' ' ' LEU . 1.5 pm0 -133.26 164.34 27.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.658 0.266 . . . . 0.0 110.659 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 1.129 ' N ' HD22 ' B' ' 393' ' ' LEU . 0.0 OUTLIER -126.22 130.83 51.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.567 HD23 ' HG3' ' B' ' 397' ' ' PRO . 6.9 mp -108.53 150.16 27.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.621 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.903 ' O ' ' OD1' ' B' ' 396' ' ' ASP . 15.0 p -123.74 102.59 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.502 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.903 ' OD1' ' O ' ' B' ' 395' ' ' VAL . 11.3 p30 29.93 50.1 0.37 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.92 ' O ' ' HD3' ' B' ' 399' ' ' PRO . 46.3 Cg_endo -71.64 178.74 5.36 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.764 2.309 . . . . 0.0 112.23 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.12 94.82 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . 0.92 ' HD3' ' O ' ' B' ' 397' ' ' PRO . 51.8 Cg_exo -47.78 -38.39 29.79 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.868 2.379 . . . . 0.0 112.105 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . 0.656 HG13 ' N ' ' B' ' 401' ' ' LEU . 9.9 p -60.88 -49.86 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.609 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.656 ' N ' HG13 ' B' ' 400' ' ' VAL . 0.2 OUTLIER -61.13 -46.68 89.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.44 -21.4 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -48.15 32.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.18 -43.64 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -48.17 -53.31 17.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.631 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -60.06 -35.01 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.615 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -71.06 -31.15 67.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.38 -46.64 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.43 -48.48 82.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 91.6 p -64.6 -27.9 69.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' B' ' 412' ' ' GLU . 1.1 mm-40 -55.8 -50.99 68.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.533 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 0.544 ' CB ' ' O ' ' B' ' 411' ' ' GLU . 0.9 OUTLIER 158.28 -0.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . . . . . . . . . 13.1 mt -79.62 44.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.675 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.78 87.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 415' ' ' LEU . 0.6 OUTLIER -105.5 -18.75 14.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 70.5 p -118.58 63.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -73.39 -40.92 63.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 5.1 mt -82.03 -61.93 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.513 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . 0.41 ' O ' ' CD ' ' B' ' 420' ' ' GLU . . . -175.75 -77.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.501 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' B' ' 419' ' ' ALA . 10.6 mp0 -141.91 95.49 2.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.596 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -93.44 -161.65 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.615 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -60.91 128.6 37.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.0 -135.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.555 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 63.9 t30 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.673 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.634 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.561 HG22 ' OG1' ' A' ' 68' ' ' THR . 67.7 p -82.92 158.19 22.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.661 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -132.43 117.83 33.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.632 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -125.62 173.17 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -162.73 133.58 4.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.46 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.427 ' CG2' ' CD ' ' A' ' 62' ' ' GLN . 24.7 m -78.74 129.42 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.652 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.4 t -130.3 123.67 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.436 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -80.13 127.89 32.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.9 mt -91.22 105.43 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.535 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 1.187 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 88.6 m -83.59 58.01 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 1.187 ' OD1' ' O ' ' A' ' 10' ' ' THR . 24.1 p30 61.97 24.36 14.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -164.8 99.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.522 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.729 ' H ' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -64.45 -3.71 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.46 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 16' ' ' HIS . . . 145.29 -144.45 13.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.52 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -64.36 3.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 110.515 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.649 ' NE2' ' CE2' ' B' ' 290' ' ' TYR . 5.5 t-160 75.44 106.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.767 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 67.99 -59.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.719 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 7.4 mpt_? -34.05 -46.43 0.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.767 ' HD2' ' C ' ' A' ' 17' ' ' ALA . 37.0 Cg_endo -68.95 -38.16 10.06 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.692 2.262 . . . . 0.0 112.115 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -71.89 -39.95 69.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 21' ' ' MET . 15.9 tmm? -72.91 -38.12 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.579 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -64.24 -36.54 84.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 23' ' ' LEU . 10.9 tp -50.28 -44.18 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -39.35 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -73.78 -35.14 64.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.704 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.888 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 6.1 mp -67.89 -41.25 83.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.821 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 51.9 ttm -58.12 -29.26 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.647 HE22 ' CE1' ' B' ' 247' ' ' HIS . 61.1 mt-30 -86.45 -28.12 23.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.08 -24.12 42.23 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.888 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 2.0 p90 -120.9 138.78 53.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.717 0.294 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.736 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.2 m-20 -80.19 110.65 15.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.746 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.17 148.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.512 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -98.63 127.46 44.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 23' ' ' LEU . 55.6 t -105.68 134.01 48.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.487 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 34' ' ' VAL . 67.9 mt -135.43 136.94 41.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.67 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 3.4 mp -107.25 150.62 26.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.472 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -147.84 134.44 19.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.686 HD21 HD12 ' A' ' 55' ' ' LEU . 3.3 m120 -90.4 156.56 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.42 -27.64 25.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.51 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 10.8 mm-40 -68.15 -10.45 54.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.94 12.13 59.42 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -84.75 116.68 23.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.751 0.31 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -77.55 103.93 7.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.631 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -90.14 65.12 6.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.633 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -40.62 121.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.658 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -63.28 -9.55 12.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.476 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -99.88 28.54 4.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.11 123.61 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.521 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.7 p -63.74 -35.54 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 51' ' ' ALA . 20.4 tt -61.45 -36.28 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.637 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.631 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.08 -43.3 87.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -58.2 -37.84 75.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.643 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.009 HD23 ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -65.62 -35.45 80.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 1.009 ' N ' HD23 ' A' ' 53' ' ' LEU . 1.7 tmt? -69.54 -35.64 75.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.686 HD12 HD21 ' A' ' 38' ' ' ASN . 4.8 tp -63.74 -36.37 83.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.914 ' OD2' HD11 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -52.06 -35.38 47.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.9 p -76.07 -6.35 50.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.448 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.34 28.84 0.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -68.93 97.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.05 6.04 40.14 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.51 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -107.12 163.6 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.743 0.306 . . . . 0.0 110.561 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' CD ' ' CG2' ' A' ' 6' ' ' THR . 38.4 tt0 -96.58 144.34 26.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.1 pt -131.59 161.93 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.49 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 29.2 mt-10 -123.38 101.56 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.75 126.71 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.506 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -119.25 139.35 52.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.22 130.59 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.561 ' OG1' HG22 ' A' ' 2' ' ' THR . 52.8 m -123.78 129.61 51.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.545 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.79 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.53 161.45 8.73 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -46.66 -46.12 18.5 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.791 2.327 . . . . 0.0 112.109 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -92.42 5.62 50.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.515 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.79 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 5.2 pm0 -36.18 -37.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.615 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 20.3 pt-20 -63.85 -49.84 71.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.666 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 55.9 tt0 -56.4 -53.45 57.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 34' ' ' VAL . . . -53.74 -49.82 67.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.219 ' O ' HG23 ' A' ' 80' ' ' ILE . 56.7 tp -64.51 -44.6 90.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.9 ' O ' HG12 ' A' ' 80' ' ' ILE . . . -61.9 -42.74 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.43 98.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.96 -43.16 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.631 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.219 HG23 ' O ' ' A' ' 76' ' ' LEU . 5.3 pt -64.0 -41.33 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.553 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.505 ' N ' ' CG1' ' A' ' 80' ' ' ILE . . . -63.85 -36.6 84.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -35.56 66.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.573 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.9 m-85 -71.72 -32.74 68.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.573 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 85' ' ' SER . 86.5 m-20 -82.53 -3.33 55.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.593 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 84' ' ' ASN . 9.4 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 4.3 mp -113.97 128.24 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -84.08 108.85 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.528 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -110.77 159.92 17.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.3 116.46 57.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -72.79 110.75 3.09 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.791 2.327 . . . . 0.0 112.185 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -86.41 -33.01 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.527 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.28 115.17 3.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.6 156.05 1.25 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.855 2.37 . . . . 0.0 112.144 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 123.33 164.72 12.13 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.2 m -120.95 133.5 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.544 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -124.0 131.98 53.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . 0.633 ' N ' HD13 ' B' ' 182' ' ' ILE . 0.0 OUTLIER -124.45 121.28 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.456 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.438 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 177.71 177.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -84.19 168.87 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.584 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -98.52 149.66 19.18 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -149.66 154.31 38.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.57 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.25 135.25 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.603 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.654 ' CG ' ' H ' ' B' ' 190' ' ' THR . 0.0 OUTLIER -65.65 178.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.62 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.541 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -53.97 -2.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . 0.654 ' H ' ' CG ' ' B' ' 188' ' ' ASP . 0.0 OUTLIER -28.36 106.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . 0.745 ' O ' ' N ' ' B' ' 193' ' ' LEU . 10.3 mt -141.29 124.63 9.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.569 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.702 ' O ' ' N ' ' B' ' 194' ' ' MET . 52.5 Cg_exo -47.62 66.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.795 2.33 . . . . 0.0 112.183 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.745 ' N ' ' O ' ' B' ' 191' ' ' LEU . 0.4 OUTLIER -36.77 -19.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.684 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . 0.702 ' N ' ' O ' ' B' ' 192' ' ' PRO . 35.2 mtm -73.55 -42.05 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' B' ' 192' ' ' PRO . 3.5 pt-20 -92.58 -8.12 45.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.666 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . 0.404 ' HB2' ' HA ' ' B' ' 193' ' ' LEU . 2.1 mm-40 -70.13 8.1 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.526 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.593 ' O ' HG23 ' B' ' 197' ' ' VAL . 20.0 m -119.93 119.52 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' B' ' 198' ' ' TYR . 14.1 p90 -164.16 94.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -138.38 -179.15 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -68.66 -172.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.576 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 58.2 m -119.37 102.21 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . 0.421 ' O ' HG23 ' B' ' 202' ' ' THR . 5.7 t -161.04 127.49 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.38 127.06 34.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.795 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 11.1 p-10 -153.93 98.0 2.63 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.547 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 34.6 Cg_endo -67.9 -37.22 15.98 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.745 2.297 . . . . 0.0 112.055 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.35 89.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.496 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.8 -37.9 12.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.455 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.795 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 67.0 mm-40 -70.9 -58.66 3.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . 0.684 HH22 HH22 ' B' ' 256' ' ' ARG . 0.0 OUTLIER -52.79 -48.99 66.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.487 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . 0.494 ' O ' HG22 ' B' ' 213' ' ' THR . 82.8 tt0 -62.33 -36.37 81.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.498 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.673 ' CB ' HH21 ' B' ' 211' ' ' ARG . 0.0 OUTLIER -59.1 -39.86 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.475 ' O ' HD23 ' B' ' 216' ' ' LEU . 19.4 tp -66.51 -59.93 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.488 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . 0.604 ' CG2' ' N ' ' B' ' 214' ' ' GLY . 0.6 OUTLIER -47.66 -46.53 29.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . 0.604 ' N ' ' CG2' ' B' ' 213' ' ' THR . . . -66.12 -36.45 91.9 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.64 -41.9 68.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.544 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' B' ' 220' ' ' ALA . 3.0 mm? -59.69 -44.89 93.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 63.4 mm-40 -59.34 -34.62 72.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -77.1 -30.85 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.444 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -93.79 -48.5 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.705 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -57.3 -49.75 75.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 88.7 m-20 -64.65 -31.88 73.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.66 ' HG2' ' CE1' ' B' ' 226' ' ' TYR . 1.0 OUTLIER -78.65 -26.47 45.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . 0.576 ' CE2' ' CE2' ' B' ' 242' ' ' PHE . 0.2 OUTLIER -77.88 -36.36 49.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.491 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . 0.585 ' CZ ' HH22 ' B' ' 225' ' ' ARG . 53.2 mtp180 -72.68 -45.06 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . 0.585 HH22 ' CZ ' ' B' ' 224' ' ' ARG . 3.0 mpt_? -74.33 -22.43 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.66 ' CE1' ' HG2' ' B' ' 222' ' ' GLU . 2.0 m-85 -72.37 -52.29 16.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.431 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . 0.741 ' HB3' ' CD2' ' B' ' 242' ' ' PHE . 9.8 p -73.29 -34.58 65.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.52 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' B' ' 224' ' ' ARG . 3.8 mtpp -58.15 -53.22 60.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' B' ' 226' ' ' TYR . 8.5 ptm180 -67.17 -38.0 84.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.543 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' B' ' 234' ' ' ALA . 0.6 OUTLIER -58.29 -47.17 84.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.63 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -53.58 -37.09 62.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.445 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.11 -20.3 16.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.518 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -125.25 -53.54 0.17 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -65.46 -166.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.63 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.654 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 4.4 tt0 -88.66 163.6 15.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . 0.654 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 3.8 tttt -64.16 -22.22 66.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -54.14 -44.56 71.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.411 ' O ' HG22 ' B' ' 241' ' ' ILE . 26.9 m -57.04 -57.91 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -56.4 -43.6 79.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.437 ' CB ' ' NH1' ' A' ' 18' ' ' ARG . . . -59.15 -45.8 90.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.553 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.698 ' CG2' ' N ' ' B' ' 242' ' ' PHE . 1.6 tp -72.32 -53.32 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.741 ' CD2' ' HB3' ' B' ' 227' ' ' SER . 0.4 OUTLIER -59.88 -57.76 11.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' B' ' 239' ' ' ALA . 33.8 t70 -40.19 -35.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.421 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -43.44 61.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.609 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.543 ' CZ ' ' CB ' ' B' ' 297' ' ' ASP . 32.1 m-85 -65.78 -46.74 77.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 70.4 p -50.16 -42.12 50.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.647 ' CE1' HE22 ' A' ' 28' ' ' GLN . 0.5 OUTLIER -75.64 -28.75 58.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' B' ' 248' ' ' LEU . 0.2 OUTLIER -78.53 -50.39 11.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.615 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.634 HD11 HD11 ' B' ' 305' ' ' LEU . 40.1 tp -57.13 -47.72 80.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . 0.575 ' O ' ' NH2' ' B' ' 255' ' ' ARG . 98.9 p -78.56 -9.01 59.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.586 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' B' ' 253' ' ' ARG . 67.7 t0 -48.03 121.99 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.606 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . 0.598 HG22 ' NH1' ' B' ' 255' ' ' ARG . 72.0 p -53.14 -5.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.505 ' H ' ' C ' ' B' ' 251' ' ' ASP . 13.1 ttp180 -80.25 -49.71 11.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.44 -44.98 96.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.598 ' NH1' HG22 ' B' ' 252' ' ' THR . 89.1 mtm-85 -59.52 -44.83 93.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . 0.684 HH22 HH22 ' B' ' 209' ' ' ARG . 0.0 OUTLIER -58.37 -38.85 78.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.07 -49.41 77.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.706 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.754 HD11 HG21 ' B' ' 275' ' ' VAL . 5.5 mp -61.22 -49.11 78.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.678 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.09 -35.52 73.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.573 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.81 98.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -67.06 -42.16 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.53 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 58.8 t -66.87 -35.42 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.452 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.41 -17.73 14.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.519 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -90.67 -20.23 22.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.608 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 121.17 24.83 2.37 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 44.4 t -104.11 162.67 12.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.852 0.358 . . . . 0.0 110.568 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . 0.434 HG12 ' HG2' ' B' ' 269' ' ' GLU . 2.2 t -95.19 144.0 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.565 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' B' ' 271' ' ' ALA . . . -57.67 -54.8 42.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.675 ' CD ' ' H ' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -34.18 -57.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.473 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . 0.505 ' O ' ' HG3' ' B' ' 273' ' ' LYS . 32.4 m0 -69.67 -29.9 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.537 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.938 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -70.8 -36.25 72.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.573 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.532 ' HA ' HD21 ' B' ' 258' ' ' LEU . 49.7 t -60.75 -43.08 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.571 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.513 ' HZ2' ' HB2' ' B' ' 273' ' ' LYS . 0.0 OUTLIER -80.03 -39.34 30.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 99.1 m -60.28 -54.21 48.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.604 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.938 HG22 ' O ' ' B' ' 271' ' ' ALA . 35.2 m -59.16 -42.94 88.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.596 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.515 ' N ' HG23 ' B' ' 275' ' ' VAL . 0.9 OUTLIER -67.48 -46.01 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.532 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 73.8 mm-40 -65.62 -40.53 92.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' B' ' 282' ' ' GLN . 0.0 OUTLIER -63.22 -36.62 84.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -83.11 -13.37 55.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . 0.702 ' O ' ' HB3' ' B' ' 284' ' ' ALA . . . -71.29 -37.72 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.618 ' O ' ' HB2' ' B' ' 285' ' ' ALA . 6.6 pm0 -96.83 -28.62 14.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' B' ' 278' ' ' LYS . 18.6 tt0 -61.18 -51.68 67.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -82.74 -30.24 29.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.596 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' B' ' 280' ' ' ALA . . . -81.65 2.32 30.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' B' ' 281' ' ' GLU . . . -80.42 -2.64 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.431 ' O ' ' NZ ' ' B' ' 292' ' ' LYS . 2.0 mm? -76.78 -172.76 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.48 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 78.4 p -109.88 -25.23 10.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.603 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.625 ' OD2' ' OD1' ' A' ' 56' ' ' ASP . 52.4 t0 -64.19 122.81 17.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.576 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -73.97 -29.42 61.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . 0.649 ' CE2' ' NE2' ' A' ' 16' ' ' HIS . 18.2 t80 -51.22 -42.83 61.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.583 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.914 HD11 ' OD2' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -93.55 -54.32 3.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.496 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' B' ' 284' ' ' ALA . 17.6 ttmm -39.29 -40.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.32 -38.68 90.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' B' ' 291' ' ' LEU . 1.0 OUTLIER -46.58 -24.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.534 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -41.03 -49.28 3.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -49.76 -43.18 38.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.543 ' CB ' ' CZ ' ' B' ' 245' ' ' TYR . 54.5 m-20 -65.3 -44.91 86.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.756 0.312 . . . . 0.0 110.448 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.91 -49.9 74.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.448 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 47.3 mtt85 -56.1 -38.51 70.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.457 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -60.19 -41.02 92.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.291 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.436 HD22 HD22 ' B' ' 249' ' ' LEU . 71.6 mt -58.26 -44.54 88.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.68 98.87 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -65.02 -37.49 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.393 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.488 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 5.1 mmm180 -71.09 -40.63 71.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.355 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . 0.634 HD11 HD11 ' B' ' 249' ' ' LEU . 43.6 mt -59.92 -42.3 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.316 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . 0.485 ' HA ' HD13 ' B' ' 306' ' ' LEU . 0.1 OUTLIER -63.73 -39.39 94.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . 0.481 ' CE1' ' ND2' ' B' ' 313' ' ' ASN . 1.9 t80 -64.79 -46.94 79.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.441 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -75.93 -21.78 56.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.432 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 0.8 OUTLIER -83.61 -15.3 49.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.455 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' B' ' 313' ' ' ASN . 5.2 t70 -129.01 90.42 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.588 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -65.53 -8.74 21.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.654 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . . . . . . . . . . . -94.7 9.3 39.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.481 ' ND2' ' CE1' ' B' ' 307' ' ' PHE . 2.2 t30 -63.48 -156.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.514 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -86.88 -179.06 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -55.57 159.48 6.96 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . 0.452 ' O ' ' CG ' ' B' ' 317' ' ' ASN . 52.6 Cg_endo -73.2 -60.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.863 2.375 . . . . 0.0 112.123 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . 0.513 ' O ' ' HB3' ' B' ' 318' ' ' ALA . 61.0 m-20 -170.31 -26.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . 1.193 ' O ' ' HD3' ' B' ' 320' ' ' PRO . . . 69.34 145.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.49 88.73 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 1.193 ' HD3' ' O ' ' B' ' 318' ' ' ALA . 43.3 Cg_endo -71.25 143.13 43.05 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.764 2.309 . . . . 0.0 112.195 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -103.71 -54.69 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.602 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 15.9 ptt180 -168.08 127.8 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 90.9 m-85 -155.67 167.1 31.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.61 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.438 HG13 ' HB3' ' B' ' 183' ' ' ALA . 34.1 mt -114.72 143.17 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.63 ' CD1' HH11 ' B' ' 342' ' ' ARG . 1.2 mp -81.93 114.75 20.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 11.7 t -121.25 89.93 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -132.29 154.06 50.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.574 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 14.7 p-10 -67.4 -30.9 70.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -134.8 120.67 19.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.9 tp -103.64 131.66 50.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.5 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 4.2 m -144.06 160.62 40.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -51.2 -38.74 54.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.615 HG23 ' N ' ' B' ' 334' ' ' THR . 10.2 t -53.09 -47.21 68.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . 0.615 ' N ' HG23 ' B' ' 333' ' ' THR . 89.6 m -60.47 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.513 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.64 -42.96 84.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -64.23 -3.23 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.642 ' C ' HD22 ' B' ' 338' ' ' LEU . 31.5 tt0 -97.43 -40.48 8.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.702 ' N ' HD22 ' B' ' 338' ' ' LEU . 3.7 mm? -103.82 146.58 32.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.483 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . 0.579 ' HB2' ' OD1' ' B' ' 341' ' ' ASP . 51.3 Cg_endo -72.97 138.41 28.33 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.777 2.318 . . . . 0.0 112.187 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -28.3 70.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.786 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 15.5 p30 -60.51 -43.93 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.592 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.786 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 0.1 OUTLIER -77.35 -18.95 56.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.589 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.494 ' N ' ' HG3' ' B' ' 342' ' ' ARG . 3.9 tp -72.53 115.85 12.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.526 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.594 HG12 ' O ' ' B' ' 344' ' ' VAL . 46.9 t -114.86 1.47 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 171.76 169.33 34.46 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 62.0 t -139.79 139.05 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 98.6 t -137.26 124.2 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.481 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' B' ' 370' ' ' MET . 3.4 t -123.69 148.67 27.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -85.44 -38.21 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.498 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' B' ' 350' ' ' ASP . 1.1 p30 -166.69 115.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.552 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.901 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . 154.78 -71.73 0.27 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . 0.901 ' O ' ' O ' ' B' ' 351' ' ' GLY . . . -32.08 179.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.363 . . . . 0.0 110.507 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 80.07 -45.69 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.553 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -131.74 36.74 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 1.1 m -120.01 148.49 43.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.607 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 14.8 pt20 -48.71 -43.77 37.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . 0.6 ' O ' HG22 ' B' ' 361' ' ' VAL . . . -67.85 -39.05 83.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . 0.416 ' HB2' ' HA ' ' B' ' 352' ' ' ALA . . . -53.07 -40.02 63.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.486 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 73.0 mt -70.94 -30.81 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . 0.536 ' O ' HD13 ' B' ' 364' ' ' LEU . 3.2 tmm? -69.5 -51.95 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.6 HG22 ' O ' ' B' ' 357' ' ' ALA . 5.5 m -64.88 -46.77 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.485 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.43 ' N ' HG23 ' B' ' 361' ' ' VAL . 8.0 ttp180 -59.16 -47.45 85.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.549 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.87 -22.77 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.656 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . 0.536 HD13 ' O ' ' B' ' 360' ' ' MET . 1.7 mp -76.73 -24.8 53.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.552 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.08 24.19 23.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' B' ' 366' ' ' ILE . 24.7 mm -101.77 123.75 42.88 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.66 126.19 12.18 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.706 2.271 . . . . 0.0 112.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 93.4 m -138.19 139.92 39.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 72.3 t -143.43 145.33 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.564 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 19.0 ptm -136.17 168.3 19.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 111.25 2.9 27.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -70.85 113.02 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.483 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -102.68 33.3 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 6.4 tp -116.51 141.17 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 3.5 mp0 -67.98 116.51 39.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.458 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . 0.527 ' HA ' HD23 ' B' ' 379' ' ' LEU . 52.1 Cg_exo -47.69 -17.39 0.69 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.822 2.348 . . . . 0.0 112.2 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 30.5 t -55.7 -46.1 77.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.474 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 65.5 t -60.21 -41.08 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.831 HD22 ' N ' ' B' ' 379' ' ' LEU . 2.3 mm? -73.19 -43.7 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.584 ' O ' ' O ' ' B' ' 185' ' ' GLY . 4.4 t60 36.94 -90.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.483 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' B' ' 379' ' ' LEU . 4.9 ptm180 -127.53 25.67 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.508 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.8 OUTLIER -78.1 170.62 16.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.5 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . 0.488 ' OG1' ' HB3' ' B' ' 396' ' ' ASP . 7.2 p -74.04 129.91 38.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.603 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 384' ' ' LEU . 30.7 mt -118.01 135.04 54.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.485 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 86.9 mt -124.95 94.53 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.728 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 41.2 t -95.89 146.05 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.546 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' B' ' 391' ' ' GLY . 61.8 t0 -133.77 79.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.637 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -47.22 -44.89 20.79 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -45.55 -47.67 14.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.604 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.4 7.35 22.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 44.12 52.21 7.08 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -120.05 152.91 36.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.565 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 6.0 tt -128.62 120.5 26.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.552 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 3.6 mp -117.03 160.21 21.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.617 ' O ' ' C ' ' B' ' 396' ' ' ASP . 62.9 t -121.87 108.53 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' B' ' 395' ' ' VAL . 2.1 p30 19.22 57.09 0.2 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.494 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.594 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.5 Cg_endo -71.45 175.3 9.62 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.868 2.379 . . . . 0.0 112.207 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -40.68 136.13 1.51 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.16 -24.23 20.39 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.787 2.325 . . . . 0.0 112.132 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' B' ' 404' ' ' GLU . 87.7 t -72.82 -49.33 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.644 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.4 -40.64 68.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.589 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -29.63 65.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . 0.402 ' HB3' ' OE2' ' B' ' 404' ' ' GLU . 46.9 tp60 -61.49 -50.1 74.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.525 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . 0.618 ' CD ' HH11 ' B' ' 407' ' ' ARG . 0.6 OUTLIER -69.46 -40.28 77.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -52.33 -52.0 55.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.77 -41.65 82.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.618 HH11 ' CD ' ' B' ' 404' ' ' GLU . 85.5 mtm180 -71.58 -32.5 68.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.06 -43.86 90.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.612 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.51 -44.29 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 82.1 p -66.56 -27.81 68.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.689 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.84 -10.11 8.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.567 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 59.47 31.77 21.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.603 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 0.942 ' O ' HG22 ' B' ' 413' ' ' ILE . 80.8 mt -102.21 40.7 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.522 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 0.436 ' C ' HD22 ' B' ' 415' ' ' LEU . 34.4 mt-10 -145.13 -147.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.641 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . 0.574 HD12 ' H ' ' B' ' 421' ' ' ASP . 4.2 mm? -106.93 -9.35 16.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 28.7 t -75.74 58.53 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -121.03 -111.51 0.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 48.1 mt -102.04 48.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.543 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . 48.82 57.33 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . 0.691 ' O ' ' C ' ' B' ' 421' ' ' ASP . 6.5 tt0 -69.97 -66.68 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . 0.691 ' C ' ' O ' ' B' ' 420' ' ' GLU . 0.0 OUTLIER 2.33 98.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.579 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.51 ' O ' ' O ' ' B' ' 423' ' ' VAL . 0.2 OUTLIER -143.93 58.1 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . 0.51 ' O ' ' O ' ' B' ' 422' ' ' ASP . 48.9 t 39.75 97.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.514 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.62 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ptm . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 3' ' ' VAL . 4.2 m -82.42 159.59 22.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.572 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.624 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -133.54 118.39 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.511 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 4.1 pttt -125.4 172.23 9.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -160.6 135.59 7.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.431 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 127.32 33.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 7' ' ' VAL . 7.7 p -128.68 125.99 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -81.52 127.28 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.3 mm -89.77 104.95 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.1 p -83.1 59.16 4.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 61.33 23.45 13.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.539 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' HZ2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.98 103.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -66.81 -2.86 5.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.512 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.92 -96.78 0.17 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.57 ' O ' ' N ' ' A' ' 17' ' ' ALA . 31.9 mtt -136.31 104.31 5.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.65 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 49.61 -84.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.529 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.785 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . -157.49 5.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.444 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.893 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -57.09 -35.31 34.02 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.678 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.893 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 30.4 Cg_endo -66.5 -39.65 15.94 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.701 2.267 . . . . 0.0 112.049 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.583 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -72.72 -36.49 67.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.811 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -75.81 -39.69 56.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.456 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -62.18 -37.2 84.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.866 HD22 HG11 ' A' ' 34' ' ' VAL . 2.3 mt -49.65 -44.17 47.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.664 ' CZ ' ' CE1' ' B' ' 247' ' ' HIS . 0.7 OUTLIER -58.06 -37.98 75.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.576 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.52 -33.49 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.621 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.928 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 1.4 mm? -69.95 -39.9 75.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.687 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.819 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 5.4 ttt -60.66 -27.54 67.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -86.52 -28.01 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.03 -23.05 39.48 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.928 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.7 p90 -120.46 136.2 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.757 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 65.7 t0 -77.57 111.56 13.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.503 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.776 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 153.83 147.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -98.36 129.55 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.575 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.866 HG11 HD22 ' A' ' 23' ' ' LEU . 7.6 p -106.26 134.81 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.476 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' C ' HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -135.9 135.62 39.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.9 mm? -105.94 151.69 24.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.499 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' C ' HD22 ' A' ' 38' ' ' ASN . 39.2 ttm180 -149.36 133.62 17.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.718 HD22 ' N ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -89.91 156.83 18.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.13 -29.11 29.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -65.98 -11.39 47.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.529 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.88 11.18 59.24 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.5 m -84.02 117.55 23.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 110.63 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' OE1' ' OE1' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -78.25 103.39 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.646 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.41 65.47 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.615 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.596 ' HB3' HD22 ' A' ' 47' ' ' ASN . 91.4 mt-10 -40.94 121.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.658 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . . . -62.77 -9.69 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.596 HD22 ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -99.98 27.4 5.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.653 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.64 123.07 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.659 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.619 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 98.5 t -63.56 -35.54 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.614 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 tt -61.79 -35.78 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.646 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.04 -41.78 85.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.56 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.69 -39.84 81.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.543 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.712 ' HB3' HD22 ' B' ' 286' ' ' LEU . 0.4 OUTLIER -64.04 -36.21 83.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.1 tpp -67.84 -36.78 80.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.607 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 14.8 mt -63.8 -35.17 79.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -53.3 -34.69 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -76.69 -6.44 52.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.84 27.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -67.83 97.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.21 5.22 40.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -105.82 164.45 11.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -98.25 142.94 29.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.605 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.32 161.52 40.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.538 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.627 ' CD ' ' O ' ' A' ' 64' ' ' GLU . 4.5 tm-20 -123.21 103.02 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.533 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.49 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.3 m -82.38 127.51 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 2.4 pt-20 -119.56 138.42 53.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.557 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.16 130.7 31.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.48 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.0 m -123.84 129.64 51.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.634 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.75 161.03 8.56 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -46.5 -45.96 18.32 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.845 2.364 . . . . 0.0 112.088 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' GLU . 60.0 mt-30 -92.77 6.33 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.634 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -36.37 -37.93 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.603 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.608 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 7.2 tp10 -63.5 -50.27 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' GLN . 16.6 tm-20 -55.64 -52.8 62.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.593 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.401 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -54.55 -49.95 69.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.774 ' O ' HD12 ' A' ' 76' ' ' LEU . 2.3 tp -64.24 -44.28 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.91 99.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.601 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.49 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.423 ' CG2' HD21 ' A' ' 23' ' ' LEU . 58.5 t -66.94 -41.92 88.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -64.82 -41.1 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.605 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.499 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -64.22 -37.06 86.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.482 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 19' ' ' PRO . 5.2 mp -72.52 -36.94 68.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.544 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -69.95 -32.91 71.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.628 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' ' CB ' ' A' ' 85' ' ' SER . 60.8 m-80 -82.51 -3.6 56.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.543 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . 0.544 ' C ' HD12 ' B' ' 171' ' ' ILE . 43.0 ttp180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . 0.544 HD12 ' C ' ' B' ' 170' ' ' ARG . 1.7 mp -110.45 134.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.5 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.532 ' CZ ' ' OE2' ' B' ' 392' ' ' GLU . 9.8 mmt180 -68.46 134.86 50.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -146.08 143.7 29.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.539 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 8.4 mp -80.48 118.55 72.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.524 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -72.51 106.41 2.08 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.786 2.324 . . . . 0.0 112.141 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -82.97 -27.41 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' B' ' 366' ' ' ILE . . . -147.01 106.29 3.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.574 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.34 134.64 20.14 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.873 2.382 . . . . 0.0 112.138 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 143.53 165.91 11.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 4.9 m -121.42 139.37 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -144.43 142.13 30.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 3.3 mp -126.55 126.76 69.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -173.77 171.14 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.496 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -82.74 162.66 21.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -83.76 130.96 10.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -127.84 132.85 49.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.741 0.305 . . . . 0.0 110.541 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -73.67 136.35 43.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.606 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.641 ' C ' ' H ' ' B' ' 190' ' ' THR . 16.7 t70 -65.54 150.1 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -64.09 15.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.598 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . 0.641 ' H ' ' C ' ' B' ' 188' ' ' ASP . 78.7 m -105.26 117.75 34.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . 0.529 ' HB3' ' HD2' ' B' ' 192' ' ' PRO . 85.0 mt -138.18 161.27 60.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.618 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' B' ' 191' ' ' LEU . 51.2 Cg_endo -72.92 114.14 3.96 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.89 2.393 . . . . 0.0 112.097 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 2.2 pp -100.06 8.13 44.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 4.3 mmt -71.4 -26.45 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -102.59 -19.6 14.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.588 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -24.18 38.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.521 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.63 152.91 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . 0.449 ' HD2' ' H ' ' B' ' 198' ' ' TYR . 1.1 p90 -118.24 168.46 10.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.588 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -116.62 145.04 43.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.609 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -168.55 142.92 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 40.1 t -110.87 100.24 9.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . 0.4 HG23 ' O ' ' B' ' 202' ' ' THR . 1.3 t -159.39 110.65 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 0.539 ' H ' HD12 ' B' ' 203' ' ' LEU . 0.5 OUTLIER -59.64 125.01 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.629 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.813 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 61.3 m-20 -156.87 68.38 4.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.603 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.62 ' O ' ' N ' ' B' ' 209' ' ' ARG . 45.8 Cg_endo -72.06 -50.92 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.802 2.335 . . . . 0.0 112.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -50.65 -49.55 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.502 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 20.1 mt -80.03 -37.37 34.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.813 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 73.4 mm-40 -75.21 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.569 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . 0.62 ' N ' ' O ' ' B' ' 205' ' ' PRO . 0.0 OUTLIER -44.66 -52.46 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.475 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.08 -39.19 85.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.489 ' CZ ' HD12 ' B' ' 309' ' ' LEU . 0.0 OUTLIER -53.63 -38.04 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' B' ' 212' ' ' LEU . 90.8 mt -68.06 -53.85 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 27.3 m -54.56 -53.58 52.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.51 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.9 -36.55 88.13 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.52 -41.54 65.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.838 0.351 . . . . 0.0 110.491 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.659 ' O ' ' N ' ' B' ' 220' ' ' ALA . 2.4 tt -55.48 -53.45 56.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 79.6 mm-40 -52.57 -34.74 51.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.501 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.468 ' CD ' ' O ' ' B' ' 218' ' ' GLU . 0.5 OUTLIER -76.24 -35.34 59.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.479 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -88.18 -51.09 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.659 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.95 -50.68 70.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.459 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 97.1 m-20 -62.19 -36.38 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.586 ' CD ' HH11 ' B' ' 304' ' ' ARG . 3.0 tt0 -68.37 -40.01 81.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -70.25 -47.66 60.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . 0.431 ' HD2' HH21 ' B' ' 224' ' ' ARG . 34.4 ttm105 -59.1 -43.2 91.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.465 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' B' ' 221' ' ' ASN . 6.6 mpt_? -69.7 -34.69 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -49.27 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . 0.723 ' HB3' ' HB2' ' B' ' 242' ' ' PHE . 5.8 p -70.43 -49.59 47.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.549 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -44.62 -29.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.553 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . 0.403 HH21 ' HD3' ' B' ' 229' ' ' ARG . 0.9 OUTLIER -81.13 -39.37 25.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.47 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' B' ' 233' ' ' GLY . 3.0 m-85 -56.15 -40.18 73.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.589 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -45.27 -35.41 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -69.34 -23.21 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . 1.021 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -126.79 -101.66 1.19 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 1.021 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -6.21 -133.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.474 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.681 ' NE2' HG23 ' B' ' 238' ' ' THR . 0.0 OUTLIER -130.47 -166.44 1.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.48 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -82.45 -36.39 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.579 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' B' ' 241' ' ' ILE . 12.4 tm-20 -67.12 -46.96 72.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.681 HG23 ' NE2' ' B' ' 235' ' ' GLN . 6.1 p -58.25 -39.01 78.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.65 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -82.97 -34.39 26.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.499 ' O ' HD12 ' B' ' 244' ' ' LEU . . . -76.58 -30.85 57.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.536 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.903 HG23 ' N ' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -68.82 -65.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.591 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.903 ' N ' HG23 ' B' ' 241' ' ' ILE . 27.9 m-85 -54.62 -67.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' B' ' 242' ' ' PHE . 21.8 t70 -32.17 -53.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.534 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 21' ' ' MET . 88.7 mt -68.05 -34.78 77.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.551 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.62 ' N ' ' O ' ' B' ' 242' ' ' PHE . 6.5 t80 -65.7 -37.08 85.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 64.3 m -49.4 -39.64 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.64 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.664 ' CE1' ' CZ ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -61.2 -33.93 74.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.628 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 1.074 HD23 ' N ' ' B' ' 249' ' ' LEU . 0.1 OUTLIER -57.11 -41.51 79.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.68 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 1.074 ' N ' HD23 ' B' ' 248' ' ' LEU . 16.4 tp -75.69 -39.09 58.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' B' ' 247' ' ' HIS . 95.6 p -68.93 -19.55 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.835 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 42.1 p-10 -50.21 120.0 4.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . 0.405 ' H ' HG23 ' B' ' 252' ' ' THR . 26.7 p -52.42 3.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.591 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.704 ' H ' ' C ' ' B' ' 251' ' ' ASP . 0.1 OUTLIER -77.06 -54.52 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 23.8 mt -66.57 -37.04 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.602 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.515 ' NH1' ' CD1' ' B' ' 258' ' ' LEU . 0.0 OUTLIER -59.27 -46.08 89.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . 0.619 ' HE ' ' HA ' ' B' ' 256' ' ' ARG . 3.0 mmp_? -66.58 -40.48 88.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -50.67 -53.53 30.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.673 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.575 HD22 HG12 ' B' ' 272' ' ' VAL . 1.1 mt -62.22 -47.55 83.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.672 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . 0.587 ' CD2' ' NH1' ' B' ' 256' ' ' ARG . 12.1 t80 -61.76 -35.13 77.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.693 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.52 98.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.697 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.52 -40.88 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 83.7 t -70.08 -35.31 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.24 -14.3 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.509 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -96.63 -17.5 20.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 123.71 16.49 3.35 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 46.7 t -92.45 160.83 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.502 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 11.6 t -100.06 148.82 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.612 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.473 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -57.34 -45.21 84.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.524 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.62 -44.83 9.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.439 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.85 -39.52 16.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.533 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.522 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -53.55 -45.86 70.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.605 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.693 ' O ' HG23 ' B' ' 276' ' ' ILE . 21.6 m -65.22 -37.12 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.582 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.431 ' N ' HG23 ' B' ' 272' ' ' VAL . 59.5 tttt -68.99 -41.8 77.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 40.5 p -73.18 -50.36 22.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 271' ' ' ALA . 49.4 t -50.21 -59.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.693 HG23 ' O ' ' B' ' 272' ' ' VAL . 26.9 pt -54.99 -38.73 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.613 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.477 ' N ' HG13 ' B' ' 276' ' ' ILE . 31.8 tt0 -68.63 -39.79 80.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.665 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -69.87 -37.48 76.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 1.5 m-85 -75.12 -35.37 61.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.519 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.16 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.461 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.467 ' N ' ' OE1' ' B' ' 281' ' ' GLU . 0.0 OUTLIER -69.96 -55.55 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.14 -41.51 99.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 279' ' ' PHE . 3.2 m-85 -64.98 -46.29 82.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.603 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -71.04 -29.43 65.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -56.28 -20.58 19.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 53' ' ' LEU . 23.4 tp -51.9 154.06 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.436 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . 0.587 ' N ' ' HG ' ' B' ' 286' ' ' LEU . 66.6 m -94.83 -41.83 9.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.705 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 0.3 OUTLIER -60.22 122.71 15.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.611 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . 0.459 ' H ' HD22 ' B' ' 289' ' ' ASN . 2.9 p30 -74.07 -27.49 60.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -59.02 -31.81 69.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.658 HD12 HD22 ' A' ' 53' ' ' LEU . 1.3 mm? -117.15 -40.69 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.538 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.707 ' N ' HD23 ' B' ' 286' ' ' LEU . 9.0 tttp -50.64 -46.74 58.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -40.87 69.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.433 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' B' ' 297' ' ' ASP . 0.7 OUTLIER -52.54 -27.67 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -44.59 -44.38 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.479 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -52.21 -38.98 49.92 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.59 ' HB2' ' O ' ' B' ' 294' ' ' ARG . 0.1 OUTLIER -53.27 -42.16 66.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.801 0.334 . . . . 0.0 110.421 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -49.24 66.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.414 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -43.18 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.337 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.592 ' HB3' HG21 ' B' ' 333' ' ' THR . . . -58.1 -41.89 84.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.309 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -38.2 90.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.42 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -57.35 -48.25 81.91 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . 0.758 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.8 OUTLIER -52.86 -39.94 63.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 0.0 110.501 179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.758 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 10.3 mtp180 -69.11 -39.83 78.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.41 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . 0.436 ' O ' HD23 ' B' ' 309' ' ' LEU . 1.0 OUTLIER -64.33 -44.41 91.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.351 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.77 -38.43 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.364 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . 0.486 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 3.0 m-85 -70.71 -42.95 69.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 77.9 m-70 -71.3 -29.83 65.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.467 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.489 HD12 ' CZ ' ' B' ' 211' ' ' ARG . 0.3 OUTLIER -45.27 -19.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.487 ' C ' ' N ' ' B' ' 312' ' ' ALA . 0.1 OUTLIER -122.24 115.52 22.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.533 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -48.18 -12.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.771 ' O ' ' NE2' ' B' ' 314' ' ' GLN . . . -86.52 -13.89 44.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.611 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.756 ' O ' ' O ' ' B' ' 312' ' ' ALA . 0.0 OUTLIER -16.2 142.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . 0.771 ' NE2' ' O ' ' B' ' 312' ' ' ALA . 0.0 OUTLIER -166.39 164.95 17.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.585 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . 0.782 ' O ' ' N ' ' B' ' 317' ' ' ASN . . . -106.23 87.45 0.52 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . 0.677 ' HD3' ' O ' ' B' ' 314' ' ' GLN . 36.5 Cg_exo -53.47 44.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.797 2.331 . . . . 0.0 112.1 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . 0.782 ' N ' ' O ' ' B' ' 315' ' ' GLY . 21.4 p30 -146.65 -25.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.604 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' B' ' 317' ' ' ASN . . . 57.89 121.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -92.93 109.9 42.33 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -73.21 -169.41 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.852 2.368 . . . . 0.0 112.043 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' B' ' 321' ' ' GLU . 1.3 pm0 -65.9 -27.8 68.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.461 ' HB2' HG21 ' B' ' 344' ' ' VAL . 7.9 ptm180 -164.16 149.17 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.675 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -173.22 167.79 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.541 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.51 150.36 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.559 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.706 ' HB3' HG13 ' B' ' 346' ' ' VAL . 0.8 OUTLIER -89.58 113.95 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.553 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.644 HG22 ' CG2' ' B' ' 347' ' ' VAL . 23.1 t -114.72 102.31 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.629 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -139.23 148.98 43.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -29.72 70.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.515 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.77 135.98 35.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 1.111 HD23 ' H ' ' B' ' 330' ' ' LEU . 2.0 pt? -90.13 138.71 31.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . 0.523 ' O ' ' OG1' ' B' ' 334' ' ' THR . 6.9 t -144.77 134.74 23.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.576 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.79 -38.13 66.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.592 HG21 ' HB3' ' B' ' 300' ' ' ALA . 0.9 OUTLIER -53.12 -47.83 68.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.529 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' B' ' 331' ' ' SER . 68.7 p -58.35 -48.47 80.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.433 HD11 HD22 ' B' ' 343' ' ' LEU . 0.4 OUTLIER -55.21 -41.91 72.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.615 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -75.98 8.88 2.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -106.77 -37.82 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.562 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.417 HD23 ' O ' ' B' ' 334' ' ' THR . 0.5 OUTLIER -106.71 132.35 20.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.633 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.62 124.9 10.24 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.773 2.316 . . . . 0.0 112.119 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.81 -23.25 66.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -37.18 86.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -82.13 -9.56 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' B' ' 343' ' ' LEU . 22.2 tp -77.21 116.98 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' B' ' 322' ' ' ARG . 2.5 t -116.43 18.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.519 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . 0.48 ' C ' HG23 ' B' ' 346' ' ' VAL . . . 151.36 177.73 25.45 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.706 HG13 ' HB3' ' B' ' 325' ' ' LEU . 35.7 t -155.69 144.34 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.697 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . 0.644 ' CG2' HG22 ' B' ' 326' ' ' VAL . 31.2 m -141.06 131.61 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.672 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 28.4 t -120.59 152.54 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.611 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . 0.608 ' NE ' ' O ' ' B' ' 372' ' ' ALA . 7.4 mmm-85 -92.36 -43.9 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -139.99 93.07 2.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -142.38 155.9 25.9 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -104.36 142.66 34.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.711 0.291 . . . . 0.0 110.599 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.2 10.87 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.55 9.42 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.594 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' B' ' 358' ' ' ALA . 89.7 p -74.94 169.3 18.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.704 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -62.41 -51.59 66.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.591 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . 0.948 ' O ' HG23 ' B' ' 361' ' ' VAL . . . -67.25 -36.85 82.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.553 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . 0.464 ' HB2' ' OG ' ' B' ' 355' ' ' SER . . . -59.74 -42.68 93.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.635 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 1.9 tt -68.67 -32.21 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.536 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -29.9 34.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.948 HG23 ' O ' ' B' ' 357' ' ' ALA . 91.4 t -66.65 -45.81 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.468 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.405 HH21 ' HD3' ' B' ' 362' ' ' ARG . 14.6 ttp-105 -65.55 -42.58 91.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.85 -31.56 72.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.623 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 364' ' ' LEU . 13.7 tp -65.07 -34.0 77.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.32 13.0 56.69 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . 0.963 HG13 ' HD2' ' B' ' 367' ' ' PRO . 3.4 tp -90.44 143.91 30.02 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . 0.963 ' HD2' HG13 ' B' ' 366' ' ' ILE . 54.5 Cg_endo -73.51 127.41 11.74 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.872 2.382 . . . . 0.0 112.146 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 67.3 m -147.39 150.8 35.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.36 151.07 21.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.442 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 0.8 OUTLIER -133.18 164.25 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.486 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 105.43 0.38 40.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . 0.608 ' O ' ' NE ' ' B' ' 349' ' ' ARG . . . -67.52 117.95 10.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.754 0.311 . . . . 0.0 110.505 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.07 35.33 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.455 ' HB ' HD11 ' B' ' 379' ' ' LEU . 16.9 mm -104.76 129.43 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.568 ' N ' ' CD ' ' B' ' 375' ' ' GLN . 0.0 OUTLIER -70.76 116.0 41.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.468 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . 0.561 ' HD3' ' NH2' ' B' ' 349' ' ' ARG . 51.7 Cg_exo -47.9 -34.05 21.36 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.875 2.383 . . . . 0.0 112.102 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 43.7 t -51.28 -45.08 61.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . 0.739 ' O ' ' CD2' ' B' ' 380' ' ' HIS . 61.7 t -77.22 -29.62 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.633 ' O ' ' C ' ' B' ' 380' ' ' HIS . 86.3 mt -70.99 -16.91 62.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.868 ' ND1' ' N ' ' B' ' 381' ' ' ARG . 10.1 p80 18.69 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.868 ' N ' ' ND1' ' B' ' 380' ' ' HIS . 6.9 ptp180 -135.06 24.15 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.0 OUTLIER -60.88 159.32 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 31.7 m -77.18 131.35 38.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.555 HD21 HD22 ' B' ' 379' ' ' LEU . 95.8 mt -121.36 145.8 47.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . 0.742 HG23 ' O ' ' B' ' 385' ' ' ILE . 19.7 tt -142.08 106.89 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 2.5 m -100.61 156.45 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.404 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.648 ' O ' ' N ' ' B' ' 391' ' ' GLY . 64.6 t0 -140.64 83.65 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -44.12 -46.5 8.07 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -53.55 -44.76 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . 0.428 ' HB2' ' OD2' ' B' ' 387' ' ' ASP . 4.0 mtm180 -100.21 2.91 43.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 37.87 54.54 1.89 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . 0.532 ' OE2' ' CZ ' ' B' ' 172' ' ' ARG . 9.8 mm-40 -129.85 160.02 34.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.373 . . . . 0.0 110.599 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.94 116.14 11.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 1.9 mp -114.87 176.73 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.626 ' O ' ' C ' ' B' ' 396' ' ' ASP . 18.3 m -133.74 122.95 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.626 ' C ' ' O ' ' B' ' 395' ' ' VAL . 2.7 p30 19.31 56.05 0.18 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.528 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.925 ' O ' ' HD3' ' B' ' 399' ' ' PRO . 42.7 Cg_endo -70.92 173.06 12.58 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.869 2.379 . . . . 0.0 112.203 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -45.27 91.29 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . 0.925 ' HD3' ' O ' ' B' ' 397' ' ' PRO . 52.7 Cg_exo -47.6 -32.45 16.11 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.819 2.346 . . . . 0.0 112.193 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . 0.598 ' O ' ' HB2' ' B' ' 403' ' ' GLN . 98.2 t -70.45 -55.21 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' B' ' 401' ' ' LEU . 4.4 mm? -58.3 -58.7 7.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.58 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.03 -17.62 18.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.519 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . 0.598 ' HB2' ' O ' ' B' ' 400' ' ' VAL . 0.4 OUTLIER -63.76 -53.52 49.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . 0.666 ' O ' ' N ' ' B' ' 407' ' ' ARG . 2.5 tt0 -84.54 -49.01 8.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' B' ' 404' ' ' GLU . 0.1 OUTLIER -36.74 -41.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -75.1 -27.96 60.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.666 ' N ' ' O ' ' B' ' 404' ' ' GLU . 36.8 ttp180 -65.46 -47.3 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.601 ' O ' ' N ' ' B' ' 411' ' ' GLU . 0.0 OUTLIER -78.82 -53.72 6.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' B' ' 408' ' ' LEU . 2.8 mm -39.79 -33.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.622 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 87.1 p -91.85 -21.79 20.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.637 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' B' ' 408' ' ' LEU . 2.0 mm-40 -122.34 35.38 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.613 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' B' ' 408' ' ' LEU . 8.4 tt0 -122.5 -103.79 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.628 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 1.054 HG23 ' H ' ' B' ' 414' ' ' GLU . 2.5 tp -105.26 -119.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 1.054 ' H ' HG23 ' B' ' 413' ' ' ILE . 26.5 tt0 -153.34 -108.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 1.3 tp -125.54 15.49 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 65.1 m -92.34 32.85 1.14 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.644 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' B' ' 419' ' ' ALA . 52.8 ttp180 -134.57 -100.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.678 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 11.6 mt 56.98 6.5 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' B' ' 417' ' ' ARG . . . -89.09 -12.44 41.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 51.53 77.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.573 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . 0.416 ' O ' ' OXT' ' B' ' 424' ' ' ASN . 1.0 OUTLIER 47.56 53.91 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.532 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' B' ' 421' ' ' ASP . 7.7 p-10 39.0 -134.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.44 -40.56 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.522 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . 0.416 ' OXT' ' O ' ' B' ' 421' ' ' ASP . 1.5 t30 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.628 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.608 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.444 ' O ' ' HG2' ' A' ' 1' ' ' MET . 9.3 t -82.67 159.33 22.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.649 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.512 ' O ' HD12 ' A' ' 76' ' ' LEU . 62.0 t -133.29 120.79 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.459 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.46 ' HA ' HD11 ' A' ' 76' ' ' LEU . 5.0 pttp -127.85 172.96 10.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -162.39 132.73 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.459 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.8 m -78.73 128.91 34.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.714 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.5 t -129.59 124.46 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.461 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -81.06 127.26 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -90.13 105.93 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.0 p -83.41 56.99 3.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.546 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.0 m120 63.29 22.77 13.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HG3' ' H ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -163.94 103.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.53 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.665 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 1.6 tp -65.63 -4.61 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.456 ' H ' ' HG3' ' A' ' 12' ' ' LYS . . . 151.01 -71.19 0.3 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtt -169.26 103.99 0.37 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.807 0.337 . . . . 0.0 110.604 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 51.21 -104.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.21 -4.73 3.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.733 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 2.1 mpt_? -42.89 -58.97 3.36 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.573 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.733 ' HD3' ' HB2' ' A' ' 18' ' ' ARG . 50.4 Cg_exo -48.37 -49.69 13.85 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.878 2.386 . . . . 0.0 112.155 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.691 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -64.44 -45.15 88.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.504 ' SD ' ' C ' ' A' ' 21' ' ' MET . 12.5 tmm? -66.86 -40.46 87.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.609 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -63.26 -37.73 88.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD21 HG23 ' A' ' 79' ' ' VAL . 1.1 mm? -50.26 -44.94 53.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -38.3 72.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.643 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.16 -35.1 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.68 HD22 ' CE1' ' A' ' 30' ' ' PHE . 95.7 mt -68.19 -40.36 82.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.8 ttm -56.72 -33.21 66.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -81.44 -33.02 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.564 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.93 -35.33 31.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CE1' HD22 ' A' ' 26' ' ' LEU . 8.0 m-85 -103.0 156.27 17.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.822 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 61.0 t0 -99.07 95.16 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.685 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.741 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 167.65 156.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.13 129.36 47.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.404 ' CG2' ' HB1' ' A' ' 75' ' ' ALA . 84.0 t -106.61 134.88 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.601 ' O ' ' OE1' ' A' ' 66' ' ' GLU . 3.1 mp -136.44 137.71 40.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.623 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 36' ' ' LEU . 8.3 mp -108.76 150.48 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -148.01 134.43 19.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.437 HD22 ' NH2' ' A' ' 61' ' ' ARG . 1.1 t30 -90.33 155.94 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 52.1 p-10 -52.6 -27.56 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.7 OUTLIER -67.75 -10.14 50.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.32 11.98 60.41 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.5 m -85.13 117.07 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.575 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -77.74 103.5 7.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.578 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.64 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.6 65.17 6.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -40.41 121.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.81 -10.26 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -99.94 28.62 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -146.57 123.09 11.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.769 HG13 HD21 ' B' ' 248' ' ' LEU . 0.0 OUTLIER -63.51 -35.47 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.515 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.45 -36.6 74.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.64 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.1 -42.31 89.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -58.72 -39.17 80.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.908 HD12 ' O ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.11 -34.57 78.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.632 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.547 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 16.0 tpt -70.43 -35.13 73.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.478 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 93.5 mt -65.07 -34.99 79.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.676 ' OD2' HD22 ' B' ' 291' ' ' LEU . 18.5 m-20 -53.44 -34.56 58.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.547 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.458 ' C ' HH11 ' A' ' 61' ' ' ARG . 63.1 m -76.43 -6.7 52.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.17 28.97 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 5.3 pttt -68.96 97.26 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.486 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.77 4.89 39.34 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.458 HH11 ' C ' ' A' ' 57' ' ' SER . 28.4 mtm180 -104.83 166.45 10.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.362 . . . . 0.0 110.551 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' CD ' ' N ' ' A' ' 62' ' ' GLN . 14.5 mm-40 -99.97 141.26 33.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.627 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.05 162.37 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.91 101.77 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG11 HG11 ' A' ' 79' ' ' VAL . 39.6 t -80.96 130.05 36.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.601 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 5.3 mp0 -121.77 140.0 52.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.38 131.09 27.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.741 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 87.0 m -121.82 142.17 50.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.15 -175.9 19.59 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.822 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 51.2 Cg_endo -73.13 -37.66 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.811 2.341 . . . . 0.0 112.146 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.501 ' NE2' ' HG2' ' A' ' 70' ' ' PRO . 3.2 mp0 -97.14 2.76 51.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.561 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.752 ' OE1' ' N ' ' A' ' 72' ' ' GLU . 6.2 pm0 -34.88 -40.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.714 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 24.2 tp10 -59.67 -50.5 73.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.51 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' GLN . 31.0 tt0 -57.82 -52.32 65.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.636 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 34' ' ' VAL . . . -55.05 -49.16 72.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.584 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.217 ' O ' HG23 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -65.42 -43.59 90.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.71 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.876 ' O ' HG12 ' A' ' 80' ' ' ILE . . . -62.98 -41.73 99.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.65 99.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.881 HG12 ' O ' ' A' ' 76' ' ' LEU . 1.3 p -66.88 -43.16 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.217 HG23 ' O ' ' A' ' 76' ' ' LEU . 5.4 pt -64.21 -41.07 91.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.462 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.504 ' N ' ' CG1' ' A' ' 80' ' ' ILE . . . -64.7 -35.66 81.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.82 -37.27 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.473 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.665 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 11.0 m-30 -70.27 -32.87 70.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.618 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.74 ' OD1' ' O ' ' A' ' 80' ' ' ILE . 31.7 m120 -80.81 -7.54 59.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.531 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 13.3 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.589 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . 0.506 ' N ' HD23 ' B' ' 394' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 12.7 tt -133.83 153.2 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.546 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -96.71 120.08 36.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.626 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -120.43 159.55 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' B' ' 370' ' ' MET . 3.9 mp -79.23 117.13 65.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.05 112.65 3.47 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.819 2.346 . . . . 0.0 112.099 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . 0.565 ' O ' ' NH2' ' B' ' 362' ' ' ARG . . . -91.96 -33.61 14.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -146.33 111.53 4.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.51 160.75 0.34 Allowed 'Trans proline' 0 C--N 1.303 -1.852 0 C-N-CA 123.002 2.468 . . . . 0.0 112.089 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 119.8 164.28 12.56 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.58 160.19 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -152.3 139.0 18.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 5.7 pt -133.56 121.85 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 173.92 177.47 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -76.54 161.99 28.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.64 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -100.83 144.35 16.61 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -129.2 139.55 51.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -76.64 135.38 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.438 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.537 ' C ' ' H ' ' B' ' 190' ' ' THR . 8.7 t70 -58.55 141.96 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -70.18 15.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . 0.537 ' H ' ' C ' ' B' ' 188' ' ' ASP . 98.3 m -89.53 104.16 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.533 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . 0.616 ' HB3' ' HD2' ' B' ' 192' ' ' PRO . 12.6 mt -135.81 163.09 53.0 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.589 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.616 ' HD2' ' HB3' ' B' ' 191' ' ' LEU . 51.5 Cg_endo -72.78 120.11 6.48 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.852 2.368 . . . . 0.0 112.151 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.712 HD23 ' OE1' ' B' ' 196' ' ' GLN . 13.4 mt -101.63 1.6 37.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.518 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -41.71 86.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.564 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -101.78 -7.95 22.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.649 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . 0.712 ' OE1' HD23 ' B' ' 193' ' ' LEU . 34.3 tt0 -76.35 -20.78 56.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.512 HG21 ' HZ3' ' B' ' 273' ' ' LYS . 33.7 m -104.39 148.65 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . 0.449 ' CD2' ' C ' ' B' ' 197' ' ' VAL . 1.3 p90 -179.57 127.65 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . 0.523 ' HG2' ' H ' ' B' ' 200' ' ' ALA . 3.9 tt0 -144.22 175.23 10.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.491 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . 0.523 ' H ' ' HG2' ' B' ' 199' ' ' GLN . . . -74.48 -166.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.631 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 53.7 m -112.73 94.01 4.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . 0.556 ' O ' HG23 ' B' ' 202' ' ' THR . 10.4 t -151.3 121.25 7.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 1.036 HD23 ' H ' ' B' ' 203' ' ' LEU . 1.0 OUTLIER -91.95 139.03 31.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.514 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.645 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -154.29 100.15 2.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 46.1 Cg_endo -72.06 -14.56 29.06 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.809 2.339 . . . . 0.0 111.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -91.12 -54.56 3.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . 0.509 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 2.5 tt -71.04 -39.9 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.645 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 3.5 mm-40 -68.42 -50.63 51.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.601 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 32.0 ttm105 -53.67 -56.39 17.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.553 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -45.01 92.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.558 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.625 ' CZ ' HD21 ' B' ' 309' ' ' LEU . 0.6 OUTLIER -56.04 -44.34 78.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.47 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.503 HD21 ' HB1' ' B' ' 268' ' ' ALA . 65.8 mt -71.19 -54.67 10.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.492 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 54.2 m -53.62 -52.44 59.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.555 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -56.36 -35.47 65.96 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.63 -39.86 66.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.528 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' B' ' 220' ' ' ALA . 48.8 mt -57.69 -54.1 50.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.526 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 1.4 mp0 -50.99 -32.2 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.517 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.34 -31.25 60.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.556 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -95.13 -48.16 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.604 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.41 -52.19 65.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.518 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 88.1 m-20 -64.99 -33.33 75.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.554 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.552 ' CD ' HH11 ' B' ' 304' ' ' ARG . 0.6 OUTLIER -65.23 -37.52 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.619 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -47.1 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.529 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 33.6 ttm105 -61.08 -40.5 93.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . 0.493 ' O ' ' HG3' ' B' ' 229' ' ' ARG . 7.0 mtp180 -69.95 -36.27 75.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.463 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.618 ' CE1' ' NH1' ' B' ' 304' ' ' ARG . 0.1 OUTLIER -57.05 -47.66 80.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.589 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 1.4 p -61.82 -48.67 79.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.497 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -42.56 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' B' ' 225' ' ' ARG . 1.5 mtm180 -76.92 -47.53 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.562 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.748 ' CD2' HG21 ' B' ' 238' ' ' THR . 0.2 OUTLIER -57.24 -51.14 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.591 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -56.12 -38.15 70.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -59.82 -17.28 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.495 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . 0.996 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -131.6 -92.62 0.57 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.996 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -22.6 -125.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.793 0.33 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.565 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 5.9 tt0 -133.02 165.64 24.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.643 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . 0.565 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 49.5 tttt -63.8 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.413 ' CB ' HE21 ' B' ' 235' ' ' GLN . 62.9 tt0 -45.13 -44.55 10.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.633 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.748 HG21 ' CD2' ' B' ' 230' ' ' PHE . 28.9 m -57.94 -54.04 51.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -55.62 -44.02 76.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.402 ' CB ' ' NH1' ' A' ' 18' ' ' ARG . . . -55.33 -48.17 74.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.648 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' B' ' 356' ' ' GLN . 85.1 mt -66.69 -54.37 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.476 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.72 ' CZ ' ' HB2' ' B' ' 336' ' ' ALA . 7.0 m-30 -58.22 -51.11 71.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -47.43 -37.96 12.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.656 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 244' ' ' LEU . 4.7 tt -68.01 -41.78 81.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.582 ' OH ' ' CG ' ' B' ' 297' ' ' ASP . 22.3 m-30 -71.88 -41.59 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 70.5 m -53.38 -42.53 67.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -76.48 -29.31 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.769 HD21 HG13 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -72.53 -60.62 2.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.611 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.481 HD13 HD21 ' B' ' 301' ' ' LEU . 60.1 tp -54.91 -35.89 64.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 95.9 p -81.46 -13.56 58.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.942 ' O ' ' N ' ' B' ' 253' ' ' ARG . 64.4 t0 -62.48 113.7 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' B' ' 252' ' ' THR . 0.3 OUTLIER -43.79 9.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.942 ' N ' ' O ' ' B' ' 251' ' ' ASP . 2.9 ttt-85 -81.73 -57.67 3.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 0.5 OUTLIER -62.37 -42.02 99.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.465 ' HG2' ' CE2' ' B' ' 259' ' ' PHE . 14.7 ttm-85 -60.23 -43.05 96.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . 0.451 ' NH2' ' CB ' ' B' ' 260' ' ' ALA . 0.0 OUTLIER -61.06 -42.19 98.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.464 ' OE1' ' CE1' ' B' ' 279' ' ' PHE . 27.6 mt-10 -57.01 -50.64 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.646 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.5 HD13 HG12 ' B' ' 272' ' ' VAL . 35.9 mt -57.19 -60.63 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' B' ' 259' ' ' PHE . 3.4 m-30 -53.45 -36.69 61.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . 0.451 ' CB ' ' NH2' ' B' ' 256' ' ' ARG . . . -60.42 -39.8 88.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.623 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.28 -46.05 43.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.18 -46.49 94.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -61.7 -12.75 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -88.14 -20.94 24.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 120.64 24.14 2.66 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 30.4 t -111.44 165.72 11.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.49 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . 0.57 HG13 ' H ' ' B' ' 270' ' ' TRP . 10.2 p -97.88 147.49 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.638 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.635 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -57.85 -46.11 85.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.439 ' H ' HG22 ' B' ' 267' ' ' VAL . 0.4 OUTLIER -41.39 -52.26 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.604 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . 0.57 ' H ' HG13 ' B' ' 267' ' ' VAL . 7.1 m95 -83.96 -32.6 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -58.32 -47.88 82.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.61 HG22 ' O ' ' B' ' 268' ' ' ALA . 20.5 m -71.14 -36.56 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.572 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.512 ' HZ3' HG21 ' B' ' 197' ' ' VAL . 1.2 tmmm? -69.04 -44.76 72.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . 0.606 ' O ' ' N ' ' B' ' 278' ' ' LYS . 98.4 m -72.49 -49.18 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 271' ' ' ALA . 79.7 t -57.85 -56.76 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.496 HG22 ' O ' ' B' ' 272' ' ' VAL . 2.9 tp -58.11 -40.29 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' B' ' 276' ' ' ILE . 0.4 OUTLIER -76.29 -40.83 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . 0.606 ' N ' ' O ' ' B' ' 274' ' ' THR . 25.0 ttpp -59.9 -39.89 86.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' B' ' 282' ' ' GLN . 2.2 m-85 -79.86 -26.59 40.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -69.36 -13.27 62.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' B' ' 281' ' ' GLU . 0.2 OUTLIER -81.29 -46.32 14.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 279' ' ' PHE . 13.9 pt20 -59.85 -43.51 94.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.625 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.538 ' N ' ' CG ' ' B' ' 282' ' ' GLN . 47.3 m-85 -65.95 -35.06 79.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -76.87 -17.86 58.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -91.89 -17.17 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.997 HD21 ' O ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -52.34 158.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . 0.558 ' N ' ' HG ' ' B' ' 286' ' ' LEU . 30.7 t -83.8 -48.83 9.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.64 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.997 ' O ' HD21 ' B' ' 286' ' ' LEU . 32.5 t70 -52.23 117.44 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.615 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . 0.513 ' HA ' ' HB3' ' B' ' 292' ' ' LYS . 9.0 t30 -73.37 -41.27 63.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.94 -38.54 56.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.676 HD22 ' OD2' ' A' ' 56' ' ' ASP . 1.7 mp -87.68 -40.5 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' B' ' 293' ' ' GLU . 0.0 OUTLIER -36.46 -40.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.485 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . 0.53 ' N ' ' HG3' ' B' ' 292' ' ' LYS . 34.4 tp10 -52.5 -39.5 61.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.414 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' B' ' 291' ' ' LEU . 24.9 mtm105 -45.58 -41.93 10.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.319 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -51.13 -47.65 61.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.232 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -59.38 -39.79 95.23 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.582 ' CG ' ' OH ' ' B' ' 245' ' ' TYR . 28.1 m-20 -63.64 -43.48 96.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.288 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.74 -49.22 73.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.236 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -56.78 -41.59 77.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.154 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.816 ' CB ' HG21 ' B' ' 333' ' ' THR . . . -70.1 -35.5 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.133 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.481 HD21 HD13 ' B' ' 249' ' ' LEU . 0.5 OUTLIER -61.9 -43.28 99.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.219 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -56.16 -44.27 88.78 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . 0.783 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -62.77 -40.32 96.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.216 179.707 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.783 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 6.5 ttt180 -62.38 -41.9 99.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.214 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 32.0 tp -66.91 -33.58 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.262 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . 0.662 HD23 ' O ' ' B' ' 306' ' ' LEU . 2.3 tt -62.8 -39.62 94.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.52 -42.18 92.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.357 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.476 ' ND1' ' N ' ' B' ' 308' ' ' HIS . 1.7 m80 -75.08 -29.19 60.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.391 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.625 HD21 ' CZ ' ' B' ' 211' ' ' ARG . 0.3 OUTLIER -60.63 -17.36 46.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.52 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.673 ' C ' ' H ' ' B' ' 312' ' ' ALA . 0.0 OUTLIER -115.01 113.57 24.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.584 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -47.9 -2.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.673 ' H ' ' C ' ' B' ' 310' ' ' ASP . . . -68.68 -19.67 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.57 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.675 ' ND2' HD21 ' B' ' 317' ' ' ASN . 3.9 t-20 -160.57 134.3 6.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.635 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -104.03 30.94 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . 0.43 ' HA2' ' CE1' ' B' ' 308' ' ' HIS . . . 109.33 -107.7 2.43 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -72.81 159.65 47.89 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.856 2.371 . . . . 0.0 112.15 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . 0.675 HD21 ' ND2' ' B' ' 313' ' ' ASN . 39.2 m-80 -147.68 -127.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -103.27 97.72 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.521 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -97.6 150.76 37.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.63 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -73.02 157.22 51.37 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.841 2.361 . . . . 0.0 112.137 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -85.64 -14.42 45.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.443 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.0 OUTLIER -139.22 124.1 18.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 176.58 157.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.04 144.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.517 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.705 HD13 ' N ' ' B' ' 326' ' ' VAL . 0.8 OUTLIER -95.86 119.92 35.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.705 ' N ' HD13 ' B' ' 325' ' ' LEU . 47.2 t -117.11 106.44 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.604 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.86 155.17 50.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 328' ' ' ASP . 4.8 p-10 -65.8 -26.31 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -151.16 125.0 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.534 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.502 HD22 HG11 ' B' ' 346' ' ' VAL . 15.6 tp -75.19 123.73 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.501 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 69.5 p -125.91 136.81 53.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -52.18 -40.87 62.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.816 HG21 ' CB ' ' B' ' 300' ' ' ALA . 11.9 t -52.42 -43.17 64.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . 0.548 ' N ' HG23 ' B' ' 333' ' ' THR . 91.5 m -58.95 -50.45 74.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.598 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' B' ' 337' ' ' GLU . 5.7 mp -55.26 -41.96 72.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . 0.72 ' HB2' ' CZ ' ' B' ' 242' ' ' PHE . . . -65.54 7.25 0.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.534 ' H ' ' C ' ' B' ' 335' ' ' LEU . 25.8 tt0 -107.87 -39.49 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.479 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -116.4 118.39 37.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -47.28 158.87 0.49 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.83 2.353 . . . . 0.0 112.061 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -69.48 -12.04 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.485 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -70.67 -40.74 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -21.19 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.507 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' B' ' 343' ' ' LEU . 34.0 tp -88.22 98.33 11.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.544 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.43 HG22 ' O ' ' B' ' 323' ' ' PHE . 19.9 m -115.08 10.07 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -177.07 155.15 17.45 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.502 HG11 HD22 ' B' ' 330' ' ' LEU . 16.1 t -138.53 142.75 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.866 0.365 . . . . 0.0 110.465 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 91.5 t -143.86 117.26 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' B' ' 370' ' ' MET . 66.2 t -110.61 149.28 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . 0.447 HH11 ' C ' ' B' ' 374' ' ' ILE . 6.7 mtp-105 -88.69 -39.18 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.525 ' O ' ' O ' ' B' ' 351' ' ' GLY . 5.3 p-10 -139.19 -102.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.525 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 51.82 162.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -86.67 160.49 18.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -86.86 -5.91 58.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.64 -0.39 37.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.1 150.76 2.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.576 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . 0.515 ' HB2' HD11 ' B' ' 241' ' ' ILE . 10.3 pt20 -65.16 -48.71 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.58 92.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.06 -40.99 77.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.2 mt -71.27 -32.56 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.85 -51.91 62.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.609 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.464 HG23 ' N ' ' B' ' 362' ' ' ARG . 16.1 m -60.58 -44.34 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.459 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.565 ' NH2' ' O ' ' B' ' 176' ' ' ALA . 11.1 ttm-85 -56.89 -53.28 59.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -66.34 -27.5 67.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . 0.731 HD23 HD12 ' B' ' 366' ' ' ILE . 40.6 tp -72.4 -28.93 63.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.474 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.01 33.84 6.77 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . 0.731 HD12 HD23 ' B' ' 364' ' ' LEU . 4.0 mt -112.82 125.53 29.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.589 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.21 132.43 18.71 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.786 2.324 . . . . 0.0 112.195 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 35.6 m -142.75 134.73 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 1.5 t -130.06 146.97 33.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.551 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' B' ' 174' ' ' LEU . 0.0 OUTLIER -133.6 157.54 45.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.597 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 102.7 -8.49 54.61 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.2 113.35 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.522 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -104.37 44.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.447 ' C ' HH11 ' B' ' 349' ' ' ARG . 4.9 tp -124.44 140.72 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.426 ' OE1' ' NH1' ' B' ' 349' ' ' ARG . 4.8 mm100 -73.7 112.79 17.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . 0.635 ' HG3' HG12 ' B' ' 326' ' ' VAL . 50.3 Cg_exo -49.0 -25.34 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.775 2.316 . . . . 0.0 112.268 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 58.5 m -49.85 -32.37 14.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . 0.45 ' O ' ' CE1' ' B' ' 380' ' ' HIS . 3.1 t -85.37 -28.31 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.708 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.713 ' O ' ' O ' ' B' ' 380' ' ' HIS . 4.0 mm? -65.82 -22.88 66.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.713 ' O ' ' O ' ' B' ' 379' ' ' LEU . 3.0 p80 -6.43 -114.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.651 ' N ' ' ND1' ' B' ' 380' ' ' HIS . 7.0 mtt180 -88.14 17.09 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . 0.437 ' HB2' ' CE1' ' B' ' 380' ' ' HIS . 16.3 tpt180 -74.87 144.99 43.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 16.5 m -70.42 123.68 22.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.587 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 49.1 tp -116.63 142.53 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.441 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . 0.654 HG13 ' O ' ' B' ' 385' ' ' ILE . 0.1 OUTLIER -139.58 101.97 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . 0.685 HG22 HD12 ' B' ' 393' ' ' LEU . 29.1 t -92.94 157.23 2.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.625 ' O ' ' N ' ' B' ' 391' ' ' GLY . 57.9 t0 -141.61 78.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -40.9 -53.64 3.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . 0.557 ' CE2' ' CD ' ' B' ' 414' ' ' GLU . 73.4 t80 -41.84 -57.03 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.48 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' B' ' 391' ' ' GLY . 4.6 tpp180 -96.18 7.14 47.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.528 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 37.45 54.85 1.68 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.3 156.06 33.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 110.594 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.685 HD12 HG22 ' B' ' 386' ' ' VAL . 3.1 tp -129.94 111.19 12.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.467 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.506 HD23 ' N ' ' B' ' 170' ' ' ARG . 52.3 mt -108.01 173.92 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.54 ' O ' ' C ' ' B' ' 396' ' ' ASP . 3.2 p -142.21 120.58 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.54 ' C ' ' O ' ' B' ' 395' ' ' VAL . 1.1 m-20 28.01 58.12 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.55 171.04 17.09 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.812 2.341 . . . . 0.0 112.118 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -56.95 122.25 51.53 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.45 -38.5 27.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.902 2.401 . . . . 0.0 112.088 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . 0.673 HG23 ' H ' ' B' ' 401' ' ' LEU . 2.6 m -60.78 -58.96 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.673 ' H ' HG23 ' B' ' 400' ' ' VAL . 71.8 mt -47.55 -48.87 27.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.495 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.39 -33.45 74.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.533 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.75 -52.0 54.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -62.21 -44.88 95.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.583 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.19 -45.34 11.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -62.34 -39.3 92.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.621 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -74.17 -39.4 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.612 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.62 -47.69 81.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.53 -35.3 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.621 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 9.2 m -58.39 -30.56 66.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' B' ' 412' ' ' GLU . 52.9 tt0 -62.01 -20.41 63.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.474 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' B' ' 411' ' ' GLU . 0.1 OUTLIER 79.66 42.96 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.503 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . . . . . . . . . 3.7 pt -110.69 50.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 0.557 ' CD ' ' CE2' ' B' ' 389' ' ' TYR . 34.7 tt0 -149.01 -79.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.7 8.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.599 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.452 ' H ' ' C ' ' B' ' 414' ' ' GLU . 37.0 t -111.45 -30.98 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.587 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -124.95 -30.75 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 414' ' ' GLU . 4.3 tt 46.44 81.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -153.73 165.46 35.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.43 -11.95 0.47 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.525 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -95.57 -175.06 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 424' ' ' ASN . 37.8 t70 -66.11 98.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.596 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.42 -46.33 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.58 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . 0.482 ' O ' ' OD2' ' B' ' 422' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.629 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.559 HG22 ' OG1' ' A' ' 68' ' ' THR . 68.5 p -81.92 159.11 23.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.535 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.706 HG21 ' OE2' ' A' ' 72' ' ' GLU . 73.4 t -133.48 116.8 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.504 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -124.02 173.22 8.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -162.84 133.53 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.486 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 t -79.04 130.51 35.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 80' ' ' ILE . 58.6 t -131.25 123.79 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.599 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.17 126.98 31.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.0 mm -90.23 104.54 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.4 57.09 3.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.423 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 62.69 22.72 13.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.491 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.675 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -162.35 101.54 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.524 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.762 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.36 -6.57 10.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.51 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.75 -45.89 0.83 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.686 ' O ' ' C ' ' A' ' 16' ' ' HIS . 5.8 tpt -179.47 151.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.722 0.296 . . . . 0.0 110.655 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.686 ' C ' ' O ' ' A' ' 15' ' ' MET . 3.2 t-160 -4.71 -66.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -168.12 2.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.489 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -48.39 -55.49 18.74 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 18' ' ' ARG . 52.6 Cg_exo -47.58 -48.17 16.27 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 122.881 2.388 . . . . 0.0 112.219 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -65.65 -43.21 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.489 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -41.63 90.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -63.17 -37.87 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.938 HD11 HG23 ' A' ' 79' ' ' VAL . 2.1 mp -49.23 -45.34 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.575 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.615 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 12.3 m-85 -57.83 -39.53 77.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.562 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.14 -34.91 64.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.575 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.652 ' HG ' ' HD1' ' A' ' 30' ' ' PHE . 5.3 tt -69.19 -39.02 78.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.4 ttp -58.58 -30.09 66.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.5 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.615 ' OE1' ' O ' ' A' ' 24' ' ' PHE . 3.3 mt-30 -83.64 -31.94 25.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.53 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.25 -28.13 41.75 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.77 ' CD1' ' OE1' ' A' ' 74' ' ' GLU . 7.6 m-85 -110.01 148.12 32.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.66 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 60.0 t0 -91.86 99.01 11.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.573 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 162.99 152.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -98.7 130.5 45.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.045 ' C ' HD22 ' A' ' 35' ' ' LEU . 7.1 p -107.4 131.94 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.045 HD22 ' C ' ' A' ' 34' ' ' VAL . 2.7 mm? -133.12 137.02 46.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.5 mp -107.63 150.44 26.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.58 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.44 HH21 ' HD2' ' A' ' 37' ' ' ARG . 17.1 mtm105 -146.63 136.37 23.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.554 ' OD1' ' SD ' ' A' ' 54' ' ' MET . 1.8 m120 -93.15 155.07 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.12 -28.16 16.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.494 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' N ' ' OE2' ' A' ' 40' ' ' GLU . 1.4 mm-40 -68.26 -10.53 55.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.1 11.97 59.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -84.8 116.56 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 43' ' ' GLU . 2.9 pt-20 -77.48 103.76 7.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.651 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.76 65.14 6.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -40.43 121.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.13 -9.65 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -100.45 29.0 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.03 123.23 10.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.672 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 14.5 p -63.2 -35.52 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.681 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.401 HG21 ' OE1' ' B' ' 282' ' ' GLN . 3.0 pt -61.5 -37.37 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.58 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.69 -42.28 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.545 HD21 ' HB1' ' A' ' 20' ' ' ALA . 6.4 mp -58.47 -38.73 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.577 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -65.47 -35.75 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.554 ' SD ' ' OD1' ' A' ' 38' ' ' ASN . 1.9 tmt? -68.73 -36.09 77.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.587 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD11 HD23 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -63.76 -35.27 80.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.623 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.99 -34.74 57.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.624 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.4 p -76.69 -6.48 52.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.498 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.19 29.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.567 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -69.2 96.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.539 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.94 4.99 38.83 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -105.87 163.94 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -97.32 143.81 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 38' ' ' ASN . 41.0 pt -130.95 162.3 39.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -124.24 100.71 6.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.671 HG11 HG11 ' A' ' 79' ' ' VAL . 44.0 t -80.5 128.45 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -120.73 138.63 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.69 130.3 29.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.558 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.559 ' OG1' HG22 ' A' ' 2' ' ' THR . 41.3 m -123.44 128.77 50.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.531 ' O ' ' CG ' ' A' ' 72' ' ' GLU . . . 142.32 160.7 8.45 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.06 -44.47 23.22 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.87 2.38 . . . . 0.0 112.077 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 1.098 ' HB3' ' HG2' ' A' ' 74' ' ' GLU . 1.7 mm100 -93.27 5.94 49.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.706 ' OE2' HG21 ' A' ' 3' ' ' VAL . 1.3 pp20? -37.46 -37.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 8.6 tp10 -63.25 -53.34 54.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.479 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 1.098 ' HG2' ' HB3' ' A' ' 71' ' ' GLN . 1.2 pp20? -54.98 -50.17 69.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.999 ' N ' ' OE1' ' A' ' 74' ' ' GLU . . . -55.86 -50.64 70.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.635 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.762 ' O ' HG12 ' A' ' 79' ' ' VAL . 2.9 tt -64.34 -43.81 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.688 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.45 99.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.635 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.25 96.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.605 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.938 HG23 HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -66.72 -42.02 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.542 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 1.0 OUTLIER -64.68 -41.61 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.51 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.45 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.84 -37.08 86.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.505 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.45 -37.36 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 4.8 m-85 -69.75 -32.23 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.535 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 85' ' ' SER . 14.2 m-20 -82.37 -4.3 57.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.5 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.521 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 91.0 mt -125.65 134.28 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.557 ' CD ' ' H ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -88.11 107.63 18.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.788 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -107.48 164.79 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.53 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.764 HD12 ' N ' ' B' ' 174' ' ' LEU . 5.7 mp -80.01 119.1 75.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.59 115.65 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.77 2.314 . . . . 0.0 112.145 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . 1.022 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -92.75 -36.66 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.461 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.3 107.6 6.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.6 145.56 9.0 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.9 2.4 . . . . 0.0 112.124 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 136.17 168.59 11.53 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 12.5 p -124.79 139.56 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.498 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -142.21 144.5 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 23.1 pt -130.92 129.7 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 173.11 175.58 0.11 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.605 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.02 167.66 21.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.576 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -105.92 128.82 9.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . 0.42 ' CB ' ' CD1' ' B' ' 323' ' ' PHE . 8.8 t90 -115.92 118.31 32.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.483 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -75.65 111.91 11.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -106.86 77.3 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.574 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.689 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -114.29 44.07 1.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.625 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . 0.689 ' C ' ' O ' ' B' ' 189' ' ' ALA . 19.9 p -9.43 106.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.515 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 12.2 mt -80.7 113.34 39.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -72.51 -173.4 1.15 Allowed 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.859 2.372 . . . . 0.0 112.057 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.58 13.72 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.511 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . 0.71 ' O ' HG12 ' B' ' 197' ' ' VAL . 67.8 mtm -72.46 -43.78 63.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.585 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -77.19 -30.36 54.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -89.35 2.41 54.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.71 HG12 ' O ' ' B' ' 194' ' ' MET . 9.3 p -67.4 162.3 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.614 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . 0.479 ' N ' HG22 ' B' ' 197' ' ' VAL . 0.3 OUTLIER -133.22 159.77 39.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -80.06 128.16 33.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.529 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -158.16 143.6 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.608 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 33.4 t -133.16 102.19 5.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.19 99.74 3.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 8.3 mp -54.1 126.06 21.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.623 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 14.2 p-10 -155.92 49.54 0.42 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.445 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.623 ' HD3' ' N ' ' B' ' 204' ' ' ASP . 53.9 Cg_exo -47.15 -54.42 5.06 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.792 2.328 . . . . 0.0 112.157 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -48.87 -51.16 31.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 10.9 tp -75.97 -34.19 59.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.502 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.581 ' HG2' HG21 ' B' ' 262' ' ' VAL . 1.8 tp10 -71.77 -65.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.389 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . 0.604 ' HG2' ' N ' ' B' ' 210' ' ' GLU . 0.2 OUTLIER -45.1 -46.87 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . 0.604 ' N ' ' HG2' ' B' ' 209' ' ' ARG . 15.5 tm-20 -64.59 -38.64 91.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.573 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.482 HH11 HD12 ' B' ' 309' ' ' LEU . 9.9 mtp180 -58.98 -43.69 91.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.548 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.402 ' HG ' HD13 ' B' ' 258' ' ' LEU . 0.1 OUTLIER -65.26 -53.04 50.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.568 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . 0.597 ' O ' ' OE1' ' B' ' 217' ' ' GLU . 36.6 p -50.91 -48.62 60.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.477 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -66.94 -34.34 86.77 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . 0.82 ' HB1' HD22 ' B' ' 309' ' ' LEU . . . -72.6 -45.84 57.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.748 0.308 . . . . 0.0 110.577 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.613 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.8 OUTLIER -59.57 -50.3 74.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.592 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.597 ' OE1' ' O ' ' B' ' 213' ' ' THR . 1.2 mp0 -52.94 -31.85 42.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.492 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' B' ' 222' ' ' GLU . 2.4 tp10 -77.13 -33.55 56.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.458 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -91.29 -49.09 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.51 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -58.58 -49.07 78.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 74.5 m-20 -67.43 -31.63 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.718 ' HG3' ' CE1' ' B' ' 226' ' ' TYR . 40.9 tt0 -67.79 -39.3 84.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -70.17 -39.27 75.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.45 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . 0.467 HH21 ' HD2' ' B' ' 224' ' ' ARG . 43.6 ttm105 -69.79 -38.15 76.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.495 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' B' ' 221' ' ' ASN . 22.8 mtp180 -81.93 -33.76 30.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.464 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.718 ' CE1' ' HG3' ' B' ' 222' ' ' GLU . 3.3 m-85 -68.45 -49.81 57.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . 0.635 ' CB ' ' CG ' ' B' ' 242' ' ' PHE . 51.4 p -62.05 -31.47 71.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.46 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -46.64 73.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.46 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 226' ' ' TYR . 5.0 ptm180 -77.87 -43.0 31.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.488 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' B' ' 238' ' ' THR . 0.6 OUTLIER -51.62 -60.25 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . 0.759 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -46.89 -41.8 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.45 -25.26 65.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.476 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -96.18 -46.53 2.59 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -91.3 -156.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.596 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.428 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 13.7 pt20 -98.46 -176.85 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.637 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 240' ' ' ALA . 14.3 mttm -61.05 -33.72 73.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.424 ' OE1' ' NE2' ' B' ' 235' ' ' GLN . 88.5 tt0 -42.79 -43.28 3.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.663 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.561 ' O ' ' CG1' ' B' ' 241' ' ' ILE . 4.6 m -69.67 -44.99 69.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.694 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . 0.759 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -71.88 -14.78 62.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' B' ' 236' ' ' LYS . . . -82.94 -35.25 26.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.839 HG13 ' H ' ' B' ' 242' ' ' PHE . 8.6 pt -72.28 -62.24 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.602 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.904 ' CG ' ' N ' ' B' ' 243' ' ' ASP . 0.1 OUTLIER -48.59 -62.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.904 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 12.2 t0 -38.36 -43.56 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 0.475 HD22 HH22 ' B' ' 294' ' ' ARG . 0.5 OUTLIER -68.15 -61.21 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.502 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.586 ' CZ ' ' HB3' ' B' ' 297' ' ' ASP . 8.3 m-85 -59.85 -45.13 93.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 36.2 t -41.33 -44.09 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.515 ' NE2' ' CZ ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -70.26 -29.82 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.575 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.797 HD13 ' C ' ' B' ' 248' ' ' LEU . 2.7 tm? -62.14 -59.59 4.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.613 ' N ' HD13 ' B' ' 248' ' ' LEU . 67.6 mt -54.39 -44.0 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 77.3 p -69.9 -24.2 63.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.718 ' C ' ' H ' ' B' ' 253' ' ' ARG . 31.7 t0 -53.44 124.64 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.644 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 2.8 m -55.86 8.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.718 ' H ' ' C ' ' B' ' 251' ' ' ASP . 0.0 OUTLIER -82.28 -37.9 25.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.533 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 3.8 mm? -78.39 -37.22 44.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.663 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -69.7 -44.28 70.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.665 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' B' ' 260' ' ' ALA . 34.6 ptt180 -66.41 -40.54 89.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' B' ' 256' ' ' ARG . 19.5 mt-10 -63.34 -48.29 78.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' B' ' 254' ' ' LEU . 12.6 mt -61.53 -61.5 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' B' ' 256' ' ' ARG . . . -62.07 -41.65 98.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.25 -42.09 99.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . 0.581 HG21 ' HG2' ' B' ' 208' ' ' GLU . 92.8 t -63.21 -33.18 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -20.41 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.68 -21.15 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.38 20.07 2.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . 0.457 ' O ' HG22 ' B' ' 262' ' ' VAL . 73.6 m -89.92 151.67 21.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.693 0.282 . . . . 0.0 110.683 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . 0.559 HG12 ' H ' ' B' ' 269' ' ' GLU . 54.3 t -99.95 144.8 11.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.471 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.601 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -44.22 -29.52 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.556 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.559 ' H ' HG12 ' B' ' 267' ' ' VAL . 1.8 mp0 -59.12 -53.99 52.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' B' ' 274' ' ' THR . 0.4 OUTLIER -81.42 -30.23 33.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.582 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.547 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -58.09 -54.56 45.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.654 ' O ' HG23 ' B' ' 276' ' ' ILE . 16.4 m -64.9 -37.11 79.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.44 ' N ' HG23 ' B' ' 272' ' ' VAL . 69.6 tttt -73.92 -47.46 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.485 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . 0.401 ' N ' ' O ' ' B' ' 270' ' ' TRP . 97.8 m -61.63 -55.18 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.529 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 271' ' ' ALA . 77.8 t -48.37 -63.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.654 HG23 ' O ' ' B' ' 272' ' ' VAL . 31.2 pt -53.88 -41.33 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.562 ' N ' HG13 ' B' ' 276' ' ' ILE . 50.3 tp10 -66.12 -44.8 83.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -61.84 -37.24 83.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . 0.448 ' O ' ' CD1' ' B' ' 283' ' ' PHE . 1.2 m-85 -72.69 -31.01 64.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.67 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.1 79.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.669 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -75.75 -46.06 33.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.613 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . 0.401 ' OE1' HG21 ' A' ' 50' ' ' ILE . 38.1 tt0 -60.51 -40.27 90.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.742 ' O ' HD11 ' B' ' 291' ' ' LEU . 3.8 m-85 -59.47 -46.76 87.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.639 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . 0.656 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -59.39 -45.46 91.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -29.99 -41.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.656 ' O ' ' O ' ' B' ' 284' ' ' ALA . 6.1 mp -74.95 166.81 23.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 66.6 m -115.41 -14.4 11.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' B' ' 288' ' ' ASP . 0.0 OUTLIER -42.91 135.19 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.659 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . 0.571 ' CG ' ' H ' ' B' ' 290' ' ' TYR . 23.8 p-10 -57.66 -60.88 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.468 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . 0.571 ' H ' ' CG ' ' B' ' 289' ' ' ASN . 55.4 t80 -53.67 -25.39 17.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.947 HD13 ' N ' ' B' ' 292' ' ' LYS . 1.2 tm? -70.29 -63.5 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.477 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.947 ' N ' HD13 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -37.9 -39.78 0.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.13 -43.34 53.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.283 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.531 ' NH2' ' OH ' ' B' ' 290' ' ' TYR . 12.6 tpt180 -49.76 -44.5 48.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . 0.599 ' HB2' ' HB3' ' B' ' 283' ' ' PHE . . . -57.97 -48.63 79.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.178 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -58.69 -39.65 93.79 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.586 ' HB3' ' CZ ' ' B' ' 245' ' ' TYR . 1.4 m-20 -65.01 -41.85 94.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.391 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . 0.503 HD12 ' CE2' ' B' ' 283' ' ' PHE . 0.5 OUTLIER -56.32 -46.05 80.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.361 179.697 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . 0.547 ' NH1' ' N ' ' B' ' 303' ' ' GLN . 2.1 tpm_? -56.7 -45.76 81.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.159 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.565 ' HB1' ' OG1' ' B' ' 333' ' ' THR . . . -62.95 -39.79 95.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.311 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.553 HD12 ' O ' ' B' ' 297' ' ' ASP . 0.5 OUTLIER -66.52 -40.53 89.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.205 179.729 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.21 -44.14 97.73 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . 0.547 ' N ' ' NH1' ' B' ' 299' ' ' ARG . 1.3 tm0? -55.0 -38.81 68.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.268 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.514 ' NE ' ' OE1' ' B' ' 222' ' ' GLU . 0.0 OUTLIER -66.03 -37.66 86.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.348 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . 0.513 ' O ' HD23 ' B' ' 309' ' ' LEU . 1.2 tp -65.26 -40.0 93.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.311 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.61 -37.55 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.475 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -45.02 86.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.398 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -73.96 -23.88 59.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.482 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.82 HD22 ' HB1' ' B' ' 215' ' ' ALA . 0.6 OUTLIER -65.04 -21.56 66.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.449 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -133.89 64.5 1.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -47.8 -28.67 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.585 ' C ' ' H ' ' B' ' 314' ' ' GLN . . . -58.19 -36.43 73.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.623 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.547 ' ND2' ' C ' ' B' ' 313' ' ' ASN . 0.0 OUTLIER -68.23 29.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.646 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . 0.585 ' H ' ' C ' ' B' ' 312' ' ' ALA . 5.0 tp-100 -179.94 132.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.673 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -102.54 -120.73 4.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.5 -27.51 7.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.893 2.395 . . . . 0.0 112.037 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 53.73 51.82 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -96.63 127.03 42.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.57 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.44 ' CD1' ' N ' ' B' ' 319' ' ' TRP . 0.5 OUTLIER -94.79 153.89 39.97 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.572 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -47.63 177.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.868 2.379 . . . . 0.0 112.174 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' B' ' 321' ' ' GLU . 0.9 OUTLIER -74.4 -51.68 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.494 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 7.6 ptm180 -155.64 158.92 39.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.61 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.494 ' HB3' ' O ' ' B' ' 322' ' ' ARG . 50.5 p90 171.83 170.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.561 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' B' ' 384' ' ' LEU . 88.6 mt -97.81 147.38 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.731 HD13 ' C ' ' B' ' 325' ' ' LEU . 2.6 tm? -85.9 118.34 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.689 ' N ' HD13 ' B' ' 325' ' ' LEU . 25.7 t -117.64 103.47 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -139.63 148.37 42.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.468 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 43.6 p30 -63.64 -31.67 72.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.484 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.582 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 15.8 tm-20 -143.61 128.56 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.601 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.466 ' O ' ' OE2' ' B' ' 329' ' ' GLU . 58.2 mt -83.98 118.95 24.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.612 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 37.2 t -115.16 134.95 54.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.16 -38.12 65.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.62 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.565 ' OG1' ' HB1' ' B' ' 300' ' ' ALA . 10.9 p -61.98 -38.71 89.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.8 m -61.07 -52.82 63.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.55 ' C ' ' H ' ' B' ' 337' ' ' GLU . 1.3 mp -55.51 -34.08 64.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.537 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.5 16.64 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.626 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.55 ' H ' ' C ' ' B' ' 335' ' ' LEU . 94.8 mt-10 -122.36 -46.48 2.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.549 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.882 HD13 ' NH1' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -95.18 114.4 63.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.458 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.67 145.88 8.81 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.822 2.348 . . . . 0.0 112.117 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -71.05 -14.15 62.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.667 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -67.17 -45.32 77.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.882 ' NH1' HD13 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -77.3 -18.56 57.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.573 HD23 ' H ' ' B' ' 345' ' ' GLY . 3.0 tt -73.77 114.15 11.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.524 HG12 ' O ' ' B' ' 344' ' ' VAL . 13.9 t -121.76 8.54 5.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . 0.573 ' H ' HD23 ' B' ' 343' ' ' LEU . . . 177.11 171.07 40.29 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 43.5 t -150.1 142.56 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 56.7 t -145.41 123.96 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.499 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.464 HG23 ' N ' ' B' ' 349' ' ' ARG . 0.4 OUTLIER -117.05 156.02 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.634 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . 0.464 ' N ' HG23 ' B' ' 348' ' ' VAL . 8.5 ttt85 -90.81 -53.08 4.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.791 ' O ' ' N ' ' B' ' 352' ' ' ALA . 9.9 p30 -132.18 -15.81 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' B' ' 352' ' ' ALA . . . -52.82 63.01 0.0 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . 0.791 ' N ' ' O ' ' B' ' 350' ' ' ASP . . . -42.36 174.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.725 ' HB1' ' NH1' ' B' ' 362' ' ' ARG . . . -59.97 -34.01 72.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.505 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . 0.424 HD22 ' HB3' ' B' ' 352' ' ' ALA . 0.7 OUTLIER -38.1 -32.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . 0.419 ' N ' ' O ' ' B' ' 353' ' ' ALA . 72.9 m -57.63 143.9 39.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.593 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -48.07 78.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.477 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . 0.844 ' O ' HG23 ' B' ' 361' ' ' VAL . . . -57.57 -44.56 85.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.531 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.15 76.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.07 -33.36 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.538 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 51.0 mtm -82.67 -24.4 33.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.436 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.844 HG23 ' O ' ' B' ' 357' ' ' ALA . 84.9 t -67.76 -49.89 65.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.725 ' NH1' ' HB1' ' B' ' 353' ' ' ALA . 0.2 OUTLIER -67.31 -34.46 77.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.67 -24.23 62.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' B' ' 364' ' ' LEU . 0.6 OUTLIER -76.17 -21.9 55.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 94.25 33.59 6.81 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . 0.616 ' CG2' ' HD2' ' B' ' 367' ' ' PRO . 38.7 mt -114.88 141.51 26.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.597 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . 0.616 ' HD2' ' CG2' ' B' ' 366' ' ' ILE . 51.1 Cg_endo -72.99 129.38 14.18 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.794 2.329 . . . . 0.0 112.05 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . 0.479 ' OG1' HG11 ' B' ' 361' ' ' VAL . 68.3 m -138.71 144.75 39.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.586 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.27 137.23 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.59 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 1.022 ' SD ' ' HB2' ' B' ' 176' ' ' ALA . 0.0 OUTLIER -121.3 159.25 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 100.97 -7.02 57.01 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -52.95 109.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -98.23 32.85 2.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.76 123.89 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.593 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 2.1 mp0 -57.23 140.26 78.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.542 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.4 -22.38 21.67 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.826 2.351 . . . . 0.0 112.18 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 96.0 p -60.39 -32.35 71.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 58.4 t -83.21 -32.69 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.587 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.687 ' O ' ' N ' ' B' ' 381' ' ' ARG . 86.5 mt -66.6 -28.68 68.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.596 ' C ' ' O ' ' B' ' 379' ' ' LEU . 22.4 t-80 22.44 -83.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.611 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.687 ' N ' ' O ' ' B' ' 379' ' ' LEU . 10.6 ptp85 -145.5 25.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -67.98 174.44 3.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 30.4 m -77.34 124.36 27.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.675 HD12 HG13 ' B' ' 386' ' ' VAL . 0.1 OUTLIER -115.0 130.49 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.587 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . 0.512 ' N ' HD13 ' B' ' 384' ' ' LEU . 97.1 mt -130.7 97.34 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.526 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . 0.675 HG13 HD12 ' B' ' 384' ' ' LEU . 31.5 m -103.63 160.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.544 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.663 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.8 t0 -141.3 83.35 1.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.574 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -43.5 -46.13 6.98 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' B' ' 389' ' ' TYR . 0.0 OUTLIER -50.95 -52.97 37.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.506 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . 0.422 HH22 ' HB2' ' B' ' 424' ' ' ASN . 27.5 ttt85 -94.82 -0.33 54.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.556 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 45.52 49.56 11.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -121.06 157.8 29.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.543 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 5.5 tt -129.84 118.35 21.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 85.6 mt -107.34 159.24 16.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.588 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.592 ' O ' ' C ' ' B' ' 396' ' ' ASP . 76.4 t -130.6 114.66 28.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.1 OUTLIER 22.77 60.36 0.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -72.51 167.29 27.44 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.791 2.327 . . . . 0.0 112.098 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' B' ' 398' ' ' GLU . 24.8 mp0 -47.15 117.45 4.78 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -46.91 -33.82 15.1 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.832 2.355 . . . . 0.0 112.194 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 98.2 t -66.79 -55.79 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 10.0 tp -54.74 -47.02 74.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 68.1 tp -62.89 -34.56 77.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -62.82 -47.95 81.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.531 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.73 -43.46 75.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -50.26 -49.65 52.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.596 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -61.18 -32.3 72.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -35.31 65.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.53 -49.25 67.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . 0.45 HG23 ' N ' ' B' ' 410' ' ' SER . 12.0 tt -61.45 -39.73 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.557 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . 0.45 ' N ' HG23 ' B' ' 409' ' ' ILE . 86.5 p -65.24 -34.93 79.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' B' ' 412' ' ' GLU . 7.9 tp10 -67.67 -23.84 65.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' B' ' 411' ' ' GLU . 0.1 OUTLIER 79.7 47.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.573 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 0.667 HG23 ' O ' ' B' ' 413' ' ' ILE . 8.1 tp -94.17 30.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.558 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 0.792 ' O ' ' N ' ' B' ' 416' ' ' SER . 4.5 pt-20 -136.56 -108.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . 0.606 ' O ' ' C ' ' B' ' 416' ' ' SER . 2.0 pp -22.55 -36.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.792 ' N ' ' O ' ' B' ' 414' ' ' GLU . 0.7 OUTLIER -20.48 -51.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.649 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' B' ' 415' ' ' LEU . 1.6 mpp_? -92.05 -81.32 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . 0.984 ' H ' HD13 ' B' ' 418' ' ' LEU . 0.0 OUTLIER -76.29 -176.26 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.612 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -109.8 90.23 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . 0.477 ' O ' ' OD1' ' B' ' 422' ' ' ASP . 1.5 mp0 51.96 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.672 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' B' ' 420' ' ' GLU . 0.2 OUTLIER 40.38 -162.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.588 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' B' ' 420' ' ' GLU . 2.6 m-20 67.81 -137.18 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.479 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.77 -79.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.551 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . 0.422 ' HB2' HH22 ' B' ' 390' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 2' ' ' THR . 2.1 t -84.01 158.79 21.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.689 HG21 ' OE2' ' A' ' 72' ' ' GLU . 85.9 t -132.69 119.48 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.631 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -127.39 172.05 10.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -161.44 134.74 6.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.539 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.588 ' OG1' ' NE2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -79.6 129.34 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.665 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.1 t -129.9 123.62 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 5.6 mp0 -80.47 126.38 31.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.1 mt -89.85 104.84 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.0 p -82.89 58.77 4.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.421 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m120 61.53 22.44 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' HD2' ' H ' ' A' ' 15' ' ' MET . 0.0 OUTLIER -162.55 101.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.599 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.67 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -68.74 3.43 1.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.489 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.624 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 119.46 62.97 0.27 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.578 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 0.8 OUTLIER 81.08 -162.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 110.436 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 23.2 t-80 -53.25 -102.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.556 ' N ' ' CG ' ' A' ' 16' ' ' HIS . . . -132.02 -1.38 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.539 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.51 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -40.21 -53.56 5.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.674 ' O ' HD23 ' A' ' 23' ' ' LEU . 51.2 Cg_exo -48.22 -51.71 9.6 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.805 2.336 . . . . 0.0 112.115 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -62.97 -44.12 96.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.662 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.475 ' SD ' HD12 ' B' ' 244' ' ' LEU . 0.2 OUTLIER -67.66 -41.4 83.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.498 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -62.98 -37.08 85.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.748 HD21 HG23 ' A' ' 79' ' ' VAL . 1.4 mm? -50.19 -46.57 54.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.526 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.65 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -55.35 -39.23 69.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -74.31 -33.45 63.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.625 HD22 ' CE1' ' A' ' 30' ' ' PHE . 84.9 mt -67.74 -44.19 78.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.498 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.9 mtp -54.73 -33.9 61.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.556 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.65 ' OE1' ' O ' ' A' ' 24' ' ' PHE . 5.7 mp0 -78.92 -33.74 45.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.95 -35.13 31.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.625 ' CE1' HD22 ' A' ' 26' ' ' LEU . 13.9 m-30 -102.09 159.06 15.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 0.0 110.515 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.851 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -102.12 92.09 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.749 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 170.76 158.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.538 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -102.34 128.01 49.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.676 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.04 134.92 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.538 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.862 HD21 ' NE ' ' A' ' 37' ' ' ARG . 3.6 tp -136.5 135.62 38.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.631 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 4.1 mp -106.22 150.82 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.862 ' NE ' HD21 ' A' ' 35' ' ' LEU . 23.2 mtt180 -147.39 135.19 21.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.537 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.426 ' HB2' ' OG1' ' A' ' 42' ' ' THR . 11.4 m120 -91.85 155.94 17.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -52.94 -28.19 22.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 40' ' ' GLU . 6.7 mp0 -67.76 -11.04 57.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.518 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.49 11.82 59.05 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 38' ' ' ASN . 30.5 p -84.53 116.82 23.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.717 0.294 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.614 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -77.91 103.15 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.547 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.645 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.29 65.52 7.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.639 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -40.67 120.96 1.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.581 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.631 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -62.69 -9.82 10.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -100.18 28.23 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.92 123.38 11.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.57 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' B' ' 248' ' ' LEU . 2.2 p -63.45 -35.87 74.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.403 HG22 ' H ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -61.7 -37.02 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.603 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.645 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.92 -41.62 91.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.58 HD22 ' HB1' ' A' ' 20' ' ' ALA . 88.2 mt -59.33 -38.16 79.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.619 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.911 HD23 ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -65.81 -36.17 82.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.911 ' N ' HD23 ' A' ' 53' ' ' LEU . 3.2 tpp -67.93 -35.76 78.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 1.9 tt -64.09 -35.38 80.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -53.03 -34.95 58.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.446 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.5 p -76.43 -6.8 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.96 29.4 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 5.8 ptpt -69.65 97.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.599 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.85 5.17 38.9 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.422 HH21 ' HD2' ' A' ' 61' ' ' ARG . 6.9 mmm180 -106.4 165.0 11.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.588 ' NE2' ' OG1' ' A' ' 6' ' ' THR . 55.0 tt0 -97.33 143.81 27.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.693 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -130.56 161.85 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.472 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.693 ' N ' HG13 ' A' ' 63' ' ' ILE . 5.6 mm-40 -124.32 101.07 6.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.35 129.26 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -121.48 139.47 53.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.9 130.57 27.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.601 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.749 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 5.9 p -121.62 141.29 51.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.15 -177.15 19.16 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.851 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.9 Cg_endo -72.16 -37.14 4.92 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.863 2.375 . . . . 0.0 112.18 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' GLU . 50.9 mm-40 -98.26 3.6 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.596 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.689 ' OE2' HG21 ' A' ' 3' ' ' VAL . 1.3 pp20? -36.07 -41.79 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.562 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 17.1 pt-20 -58.62 -49.3 77.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 11.9 tp10 -58.91 -51.9 68.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.53 -49.43 72.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.851 ' O ' HG12 ' A' ' 79' ' ' VAL . 1.7 tt -64.68 -44.05 91.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.505 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.14 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.7 98.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 76' ' ' LEU . 1.0 OUTLIER -66.63 -42.32 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.539 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -64.65 -41.57 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.453 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.506 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.31 -36.77 84.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.513 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.0 -37.58 66.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.443 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -69.67 -32.02 70.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.656 ' O ' ' HB2' ' A' ' 85' ' ' SER . 80.4 m-20 -82.29 -5.69 58.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.656 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 71.6 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.59 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . 0.405 HH21 ' HD3' ' B' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . 0.452 HD12 HD11 ' B' ' 374' ' ' ILE . 70.6 mt -89.6 118.23 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -57.51 128.7 38.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.533 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -142.38 157.6 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.589 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.57 112.8 34.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.76 116.75 4.84 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.912 2.408 . . . . 0.0 112.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -90.04 -33.84 16.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.472 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.03 109.17 7.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.34 145.1 8.74 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.853 2.368 . . . . 0.0 112.051 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 131.98 171.92 12.94 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 9.8 p -129.06 145.06 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -138.36 140.93 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 25.1 pt -128.4 129.52 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.473 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.547 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 171.77 174.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . 0.49 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 25.6 mp0 -72.69 161.17 31.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.619 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -104.29 122.58 7.41 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -118.48 133.07 56.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . 0.535 ' O ' ' NE2' ' B' ' 187' ' ' GLN . 0.0 OUTLIER -67.35 132.45 47.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.795 ' HB2' ' HB2' ' B' ' 327' ' ' ALA . 50.3 t0 -57.94 136.5 57.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.457 ' N ' ' OD1' ' B' ' 188' ' ' ASP . . . -57.46 -13.82 4.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.482 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 12.7 m -62.68 105.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . . . . . . . . . 7.2 mt -130.4 158.75 73.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -72.61 129.78 15.09 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.85 2.367 . . . . 0.0 112.07 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.94 ' H ' HD13 ' B' ' 193' ' ' LEU . 0.0 OUTLIER -92.36 11.6 25.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 11.9 tpp -69.56 -38.93 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -96.8 -17.72 20.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -65.73 -38.69 89.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.564 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' B' ' 198' ' ' TYR . 5.4 p -61.34 144.25 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . 0.477 ' HB2' ' O ' ' B' ' 197' ' ' VAL . 1.3 t80 172.33 84.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . 0.465 ' NE2' ' H ' ' B' ' 198' ' ' TYR . 1.6 mp0 -131.49 168.28 17.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -70.42 -167.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.545 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 20.0 t -118.21 89.21 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 17.8 m -144.19 123.17 12.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.593 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 0.495 ' C ' ' OD1' ' B' ' 204' ' ' ASP . 0.8 OUTLIER -87.56 145.06 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.613 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.938 ' O ' ' CB ' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -154.32 98.19 2.55 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -71.97 -21.47 24.31 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.884 2.39 . . . . 0.0 112.102 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -94.41 -62.26 1.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.02 -37.32 87.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.938 ' CB ' ' O ' ' B' ' 204' ' ' ASP . 1.7 tp10 -68.92 -59.22 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -49.75 -53.54 24.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.01 -39.88 87.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.403 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.535 HH22 ' CD ' ' B' ' 269' ' ' GLU . 2.3 ttt180 -55.57 -39.92 71.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -49.6 60.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.387 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 52.2 m -53.42 -50.16 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.474 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.45 -37.37 94.55 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -69.32 -46.74 66.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 110.393 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.9 tt -61.46 -50.85 71.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.477 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.493 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 68.4 mm-40 -54.36 -38.63 66.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.394 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.14 -34.49 66.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.472 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -84.59 -48.25 9.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.503 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -60.34 -49.23 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 89.3 m-20 -61.7 -36.9 82.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.609 ' OE2' ' CD1' ' B' ' 226' ' ' TYR . 2.6 tm-20 -67.25 -34.6 77.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.412 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.76 -40.0 72.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.442 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . 0.6 ' NE ' ' OG ' ' B' ' 246' ' ' SER . 81.6 mtt85 -59.77 -43.9 94.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.501 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . 0.405 ' O ' ' HD3' ' B' ' 229' ' ' ARG . 0.6 OUTLIER -73.28 -35.46 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.676 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 0.2 OUTLIER -57.43 -58.07 9.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.411 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . 0.636 ' CB ' ' CB ' ' B' ' 242' ' ' PHE . 98.1 p -61.76 -48.26 81.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.476 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -49.49 -40.97 39.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.39 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' B' ' 225' ' ' ARG . 0.7 OUTLIER -67.96 -42.37 81.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.67 ' O ' ' N ' ' B' ' 234' ' ' ALA . 3.4 m-85 -67.98 -42.16 81.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.494 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.61 -38.86 70.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -56.29 -13.49 2.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . 0.967 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -148.31 -65.64 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.967 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . -28.83 -125.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.56 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.589 HE22 HG23 ' B' ' 238' ' ' THR . 0.0 OUTLIER -139.61 175.01 9.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -68.79 -20.71 64.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -54.65 -47.3 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.589 HG23 HE22 ' B' ' 235' ' ' GLN . 4.6 p -71.07 -44.41 65.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -58.57 -41.86 86.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.56 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.26 77.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.52 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.657 ' CG2' ' N ' ' B' ' 242' ' ' PHE . 1.7 tt -63.5 -50.13 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.603 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.678 ' CG ' ' N ' ' B' ' 243' ' ' ASP . 0.0 OUTLIER -52.23 -57.67 8.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.678 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 0.0 OUTLIER -43.35 -42.15 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.514 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 0.577 HD23 ' O ' ' B' ' 244' ' ' LEU . 7.0 tt -75.57 -38.89 58.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.618 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -48.24 81.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . 0.6 ' OG ' ' NE ' ' B' ' 224' ' ' ARG . 1.4 t -50.67 -46.08 58.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' B' ' 244' ' ' LEU . 0.0 OUTLIER -68.61 -32.32 72.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.611 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 65.2 tp -66.98 -49.05 66.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.667 HD21 HD21 ' B' ' 301' ' ' LEU . 8.3 mt -70.55 -40.21 73.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 83.7 p -79.8 -1.23 37.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.716 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 0.1 OUTLIER -65.99 125.03 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.559 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . 0.427 HG23 ' H ' ' B' ' 252' ' ' THR . 0.2 OUTLIER -65.56 -1.66 2.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.55 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.659 ' N ' ' OD1' ' B' ' 251' ' ' ASP . 20.1 mmm180 -78.24 -45.94 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . 0.853 ' O ' HD12 ' B' ' 258' ' ' LEU . 2.0 tp -80.73 -33.03 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.45 HH21 ' HD3' ' B' ' 255' ' ' ARG . 21.8 ttp180 -63.26 -49.25 74.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.744 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' B' ' 257' ' ' GLU . 9.5 ptm180 -64.93 -38.55 91.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' B' ' 256' ' ' ARG . 13.1 mt-10 -52.56 -51.11 61.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.605 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.853 HD12 ' O ' ' B' ' 254' ' ' LEU . 1.2 mt -58.31 -56.08 26.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . 0.58 ' CD2' ' N ' ' B' ' 259' ' ' PHE . 6.1 m-30 -57.2 -34.17 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.46 94.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.592 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.11 -43.57 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.638 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' B' ' 208' ' ' GLU . 75.5 t -66.48 -39.57 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.33 -11.19 5.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.519 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.76 -17.23 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.547 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 117.94 17.96 5.28 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 57.1 m -97.99 159.24 15.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.847 0.356 . . . . 0.0 110.65 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.42 146.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.619 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' B' ' 269' ' ' GLU . . . -54.97 -49.71 70.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.535 ' CD ' HH22 ' B' ' 211' ' ' ARG . 4.0 mp0 -38.09 -52.74 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.629 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -75.55 -43.33 49.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.89 ' O ' HG12 ' B' ' 275' ' ' VAL . . . -58.15 -44.89 88.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.621 ' O ' HG12 ' B' ' 276' ' ' ILE . 95.1 t -60.08 -37.31 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.586 ' O ' ' CG ' ' B' ' 277' ' ' GLU . 17.9 ttpt -82.94 -33.47 26.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.7 m -70.89 -53.93 13.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.63 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.89 HG12 ' O ' ' B' ' 271' ' ' ALA . 7.2 p -51.97 -58.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.739 ' H ' HG13 ' B' ' 275' ' ' VAL . 1.8 pp -60.08 -44.25 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.586 ' CG ' ' O ' ' B' ' 273' ' ' LYS . 39.8 mm-40 -59.26 -42.82 92.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -67.05 -35.03 78.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -75.91 -24.72 55.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.556 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.13 82.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.5 -28.99 30.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -62.96 -45.54 91.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 6.7 m-30 -69.58 -40.24 76.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.576 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -58.0 -47.04 84.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.63 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -32.94 -31.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 284' ' ' ALA . 1.7 mm? -77.32 178.25 7.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.465 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 83.7 p -121.87 -6.78 9.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.622 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' B' ' 292' ' ' LYS . 77.5 m-20 -68.33 108.77 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -60.92 -30.36 70.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -55.32 -42.41 73.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' B' ' 291' ' ' LEU . 0.4 OUTLIER -112.27 -43.88 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.579 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.635 ' N ' ' O ' ' B' ' 288' ' ' ASP . 15.2 tttp -48.65 -52.49 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.94 -40.94 95.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -56.39 -28.25 58.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . 0.516 ' O ' ' HB2' ' B' ' 298' ' ' LEU . . . -42.47 -45.92 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.407 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -43.15 -35.02 2.33 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -58.81 -38.95 79.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.47 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' B' ' 295' ' ' ALA . 0.8 OUTLIER -50.18 -53.15 29.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.488 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 5.3 tmm_? -53.12 -42.67 66.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.303 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -68.98 -34.62 75.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.302 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.667 HD21 HD21 ' B' ' 249' ' ' LEU . 7.4 tt -56.93 -45.01 83.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.412 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -57.36 -40.92 92.78 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -37.54 83.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.35 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.455 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 1.7 tpt180 -65.98 -41.62 90.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.342 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' B' ' 309' ' ' LEU . 0.5 OUTLIER -70.79 -39.98 72.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.391 179.744 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . 0.596 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.8 OUTLIER -63.19 -41.05 99.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.322 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -62.63 -45.47 92.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.301 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -76.0 -21.33 57.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.357 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' B' ' 305' ' ' LEU . 10.2 tp -64.65 -19.01 65.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.577 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.596 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 3.5 m-20 -108.96 116.56 32.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -11.75 34.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.557 ' O ' ' O ' ' B' ' 313' ' ' ASN . . . -87.93 -11.38 47.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.576 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.557 ' O ' ' O ' ' B' ' 312' ' ' ALA . 81.3 m-20 55.13 130.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.67 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -123.36 164.98 17.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.512 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 49.84 69.52 1.03 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -72.8 159.03 49.28 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.771 2.314 . . . . 0.0 112.088 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' B' ' 318' ' ' ALA . 1.2 m120 -104.23 -48.25 3.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . 0.941 ' O ' ' HD3' ' B' ' 320' ' ' PRO . . . 65.42 96.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.655 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' B' ' 319' ' ' TRP . 0.4 OUTLIER -36.74 86.41 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.594 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 0.941 ' HD3' ' O ' ' B' ' 318' ' ' ALA . 46.0 Cg_endo -71.96 -174.24 1.29 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.83 2.353 . . . . 0.0 112.136 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' B' ' 322' ' ' ARG . 17.9 pt-20 -95.21 -53.63 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.442 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.692 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 9.2 ptm180 -166.6 135.48 2.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.598 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.692 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 56.3 m-85 -159.79 165.8 31.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.596 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.547 HG13 ' HB3' ' B' ' 183' ' ' ALA . 78.0 mt -107.76 138.6 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.567 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' B' ' 325' ' ' LEU . 21.8 tp -83.99 118.23 23.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.592 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' B' ' 376' ' ' PRO . 10.9 t -123.6 87.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.795 ' HB2' ' HB2' ' B' ' 188' ' ' ASP . . . -120.53 142.25 49.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . 0.486 ' O ' ' OD1' ' B' ' 350' ' ' ASP . 3.0 p-10 -58.38 -29.29 65.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.589 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -144.22 117.03 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.454 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 19.8 tp -85.63 129.29 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.647 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 27.8 t -134.54 141.79 46.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.24 -40.12 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 77.5 m -56.17 -44.88 79.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 79.5 p -71.47 -54.95 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.607 ' O ' HD23 ' B' ' 335' ' ' LEU . 1.1 tt -49.74 -37.92 31.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . 0.676 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -71.95 13.85 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' B' ' 335' ' ' LEU . 37.4 tt0 -99.45 -34.6 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.624 ' N ' HD23 ' B' ' 338' ' ' LEU . 0.3 OUTLIER -112.05 151.71 43.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -72.87 141.73 33.98 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.802 2.335 . . . . 0.0 112.117 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -66.59 -14.35 62.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.554 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.781 ' OD1' ' N ' ' B' ' 342' ' ' ARG . 38.9 p-10 -62.13 -44.04 97.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.598 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.781 ' N ' ' OD1' ' B' ' 341' ' ' ASP . 0.1 OUTLIER -80.52 -24.86 39.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.519 HD21 HG23 ' B' ' 346' ' ' VAL . 6.2 tt -67.39 105.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.66 HG12 ' O ' ' B' ' 344' ' ' VAL . 33.5 t -115.44 16.38 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.637 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 170.25 160.45 18.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.519 HG23 HD21 ' B' ' 343' ' ' LEU . 34.9 t -145.67 143.87 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.317 . . . . 0.0 110.604 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 4.2 p -162.48 133.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.478 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.52 HG22 ' SD ' ' B' ' 370' ' ' MET . 10.9 m -123.88 163.01 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -89.37 -48.69 7.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.504 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.613 ' O ' ' C ' ' B' ' 351' ' ' GLY . 3.6 p30 -121.84 -23.2 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.5 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.613 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . -19.4 132.47 0.01 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -78.93 134.37 36.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.571 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.03 -19.65 64.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -94.39 6.8 47.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . 0.472 ' HG ' ' HB2' ' B' ' 358' ' ' ALA . 84.3 p -70.14 164.98 23.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.584 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -45.18 92.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . 0.454 ' O ' HG22 ' B' ' 361' ' ' VAL . . . -69.67 -30.53 68.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.613 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . 0.472 ' HB2' ' HG ' ' B' ' 355' ' ' SER . . . -61.61 -46.75 88.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 46.2 pt -76.71 -21.29 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . 0.531 ' HG3' HE21 ' B' ' 235' ' ' GLN . 7.4 ttt -63.17 -55.94 20.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.456 ' H ' HG22 ' B' ' 361' ' ' VAL . 4.2 m -66.88 -41.69 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 11.6 ttm-85 -54.31 -51.37 64.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.674 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -72.76 -22.83 60.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.541 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 364' ' ' LEU . 32.9 tp -71.74 -29.62 64.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 93.66 25.2 18.76 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 3.8 mm -106.52 124.04 36.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -47.73 130.68 19.23 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.749 2.3 . . . . 0.0 112.148 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 97.1 m -146.02 143.01 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.513 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . 0.585 ' O ' ' SD ' ' B' ' 370' ' ' MET . 2.3 t -124.8 150.98 29.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.585 ' SD ' ' O ' ' B' ' 369' ' ' VAL . 0.0 OUTLIER -130.28 155.79 45.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.621 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 90.46 2.51 73.17 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -49.48 109.59 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 110.507 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -91.03 55.74 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.452 HD11 HD12 ' B' ' 171' ' ' ILE . 1.0 OUTLIER -143.98 130.48 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.484 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.434 ' O ' HD23 ' B' ' 379' ' ' LEU . 26.9 mp0 -68.08 133.46 91.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . 0.484 ' HB3' ' O ' ' B' ' 326' ' ' VAL . 51.0 Cg_endo -72.83 -27.56 14.51 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.82 2.347 . . . . 0.0 112.128 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 83.7 p -71.98 -14.83 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.64 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . 0.576 HG12 ' O ' ' B' ' 378' ' ' VAL . 47.6 t -100.45 0.24 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.529 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' B' ' 380' ' ' HIS . 3.7 mm? -104.44 4.1 32.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.637 ' C ' ' O ' ' B' ' 379' ' ' LEU . 6.6 t-160 15.79 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' B' ' 379' ' ' LEU . 35.8 ptt180 -144.98 29.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -66.36 169.69 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 93.9 m -77.01 129.19 35.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.609 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' B' ' 384' ' ' LEU . 7.3 mt -127.43 142.98 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 83.2 mt -130.39 102.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.59 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 22.7 t -95.0 132.04 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' B' ' 391' ' ' GLY . 67.5 t0 -124.56 88.04 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -58.61 -35.89 82.94 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -49.7 73.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -90.88 -13.36 33.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 59.46 61.93 6.72 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.29 170.12 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.616 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.8 127.04 45.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.519 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' B' ' 397' ' ' PRO . 5.6 mt -112.26 159.93 18.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.706 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 48.2 t -133.8 119.78 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.577 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.592 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.6 OUTLIER 22.47 52.72 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.706 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 52.1 Cg_endo -72.41 157.86 52.36 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.904 2.403 . . . . 0.0 112.132 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . 0.572 ' CD ' HD13 ' B' ' 401' ' ' LEU . 7.4 pt-20 -45.98 142.32 3.95 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.585 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.74 -6.45 19.16 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.868 2.379 . . . . 0.0 112.154 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 43.1 t -74.64 -39.09 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.588 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.572 HD13 ' CD ' ' B' ' 398' ' ' GLU . 5.8 mp -61.29 -48.35 81.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.562 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . 0.585 ' N ' HD22 ' B' ' 402' ' ' LEU . 3.4 mm? -62.46 -36.14 81.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -55.77 -62.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.34 -44.61 65.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -50.37 61.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -60.64 -35.96 77.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -76.87 -32.48 57.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.539 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' B' ' 411' ' ' GLU . 50.4 tp -75.0 -44.4 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.593 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 6.1 mm -58.07 -42.4 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 91.2 p -73.79 -16.2 61.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' B' ' 408' ' ' LEU . 4.9 tt0 -58.5 -74.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.512 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 179.56 41.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 0.46 ' O ' HG22 ' B' ' 413' ' ' ILE . 37.1 mm -108.78 53.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.53 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' B' ' 415' ' ' LEU . 0.8 OUTLIER -129.48 104.38 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . 0.541 ' O ' ' C ' ' B' ' 416' ' ' SER . 6.6 mt -28.31 -45.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.541 ' C ' ' O ' ' B' ' 415' ' ' LEU . 40.6 t -28.5 -43.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.525 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . 0.666 ' O ' ' N ' ' B' ' 419' ' ' ALA . 0.0 OUTLIER -129.67 -2.91 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.605 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 53.82 -73.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.567 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' B' ' 417' ' ' ARG . . . -151.88 143.6 23.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.487 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -93.86 60.65 2.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.547 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -141.16 -179.23 5.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.591 ' C ' ' H ' ' B' ' 424' ' ' ASN . 41.7 t0 -82.52 179.76 7.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . 0.422 ' H ' HG23 ' B' ' 423' ' ' VAL . 2.3 t -58.1 2.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.519 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . 0.591 ' H ' ' C ' ' B' ' 422' ' ' ASP . 3.5 m120 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HG2' ' H ' ' A' ' 2' ' ' THR . 2.5 ttm . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.425 ' H ' ' HG2' ' A' ' 1' ' ' MET . 5.1 t -83.19 160.7 21.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.558 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 3' ' ' VAL . 3.0 p -134.91 118.88 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -126.36 173.86 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.623 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.699 ' CD ' ' O ' ' A' ' 5' ' ' GLN . 3.9 pp0? -161.98 135.64 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.496 HG22 ' OE2' ' A' ' 8' ' ' GLU . 61.9 m -82.56 125.83 31.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.62 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.582 HG23 ' OE1' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -126.68 125.05 66.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.497 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.522 ' OE1' ' OE1' ' A' ' 62' ' ' GLN . 4.4 mm-40 -81.46 124.89 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.12 HG21 ' O ' ' A' ' 58' ' ' ALA . 15.7 tt -88.52 105.74 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.718 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.5 OUTLIER -82.68 54.0 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 65.27 24.08 12.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.689 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -163.8 96.8 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.712 ' CD1' ' HG2' ' A' ' 19' ' ' PRO . 2.1 pp -61.42 -2.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 151.92 -135.59 5.09 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.874 0.369 . . . . 0.0 110.468 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.541 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -166.73 78.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.456 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.626 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 70.73 -16.29 0.34 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.52 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.873 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 4.9 mtp180 -60.82 -37.41 44.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.873 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 30.9 Cg_endo -66.74 -39.48 15.13 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.711 2.274 . . . . 0.0 111.988 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -71.11 -36.81 72.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.2 tpt -76.21 -38.35 56.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -64.39 -34.56 78.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -43.69 64.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.654 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 18.7 m-85 -58.25 -35.48 71.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.453 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.91 -34.93 57.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.647 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.903 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 38.1 mt -69.48 -38.7 77.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.651 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.845 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 5.8 ttt -59.65 -29.42 68.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.632 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -86.45 -29.01 23.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.56 -25.95 37.32 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.903 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.4 p90 -118.96 136.18 54.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.748 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 42.0 m-20 -78.33 111.15 14.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.613 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.79 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 155.76 147.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.44 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -97.81 127.98 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.033 ' C ' HD22 ' A' ' 35' ' ' LEU . 55.2 t -106.34 132.15 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.455 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.033 HD22 ' C ' ' A' ' 34' ' ' VAL . 2.7 mm? -132.83 138.31 47.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.557 HD22 HG22 ' A' ' 65' ' ' VAL . 26.0 mt -108.59 150.22 27.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.532 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.408 HH21 ' HD3' ' A' ' 37' ' ' ARG . 16.2 ttp-105 -149.02 135.15 19.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.648 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.674 ' HA ' HG22 ' A' ' 63' ' ' ILE . 5.3 m120 -91.92 155.95 17.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 49.3 p-10 -52.72 -26.79 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 30.7 tt0 -68.41 -9.84 51.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.23 12.04 60.46 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.3 m -85.42 116.87 23.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.308 . . . . 0.0 110.568 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.9 103.55 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.645 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.6 65.44 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -40.73 121.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.586 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.591 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.06 -10.22 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -99.66 27.84 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.67 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.8 123.79 12.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.495 HG21 HD21 ' B' ' 248' ' ' LEU . 14.9 p -63.67 -35.83 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.6 HD12 ' OE1' ' B' ' 282' ' ' GLN . 0.1 OUTLIER -61.67 -36.62 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.645 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.59 -43.03 90.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.701 HD11 ' HB2' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -58.42 -39.27 79.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HG ' ' HB3' ' B' ' 291' ' ' LEU . 7.7 mp -64.12 -36.27 83.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.593 ' O ' ' SD ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -68.71 -36.27 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.643 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.8 tt -63.3 -35.43 80.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.479 ' C ' ' OD2' ' B' ' 288' ' ' ASP . 73.6 m-20 -53.0 -35.1 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.587 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -76.16 -6.78 52.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.638 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.12 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -83.2 29.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.11 97.37 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.943 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 105.16 6.35 39.48 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 1.006 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -106.37 165.71 11.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.736 0.303 . . . . 0.0 110.648 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.522 ' OE1' ' OE1' ' A' ' 8' ' ' GLU . 8.2 mm-40 -99.03 143.08 29.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.495 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.674 HG22 ' HA ' ' A' ' 38' ' ' ASN . 23.2 pt -130.84 163.09 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.638 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -124.55 100.71 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.557 HG22 HD22 ' A' ' 36' ' ' LEU . 46.5 t -80.58 127.32 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.531 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -120.0 138.3 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.432 ' O ' HG12 ' A' ' 3' ' ' VAL . . . -137.11 131.35 32.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.555 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.69 129.14 49.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.648 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.489 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.28 161.32 8.72 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -46.55 -45.72 18.93 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.791 2.328 . . . . 0.0 112.201 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' GLU . 25.6 mt-30 -93.07 5.25 52.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.569 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 15.8 pt-20 -35.97 -37.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -63.5 -49.01 75.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.654 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -57.38 -51.76 68.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.527 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.91 -49.89 70.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -64.86 -43.78 91.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.39 99.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.592 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.49 99.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 75' ' ' ALA . 77.8 t -67.35 -42.17 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.653 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.515 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -65.02 -41.23 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.554 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.473 ' N ' ' CG2' ' A' ' 80' ' ' ILE . . . -64.27 -35.47 80.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.508 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -73.42 -37.93 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.9 m-30 -70.07 -32.52 70.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 80' ' ' ILE . 72.2 m-80 -81.43 -6.75 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.555 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 48.6 mm -118.89 132.0 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.512 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -86.77 107.47 18.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 1.034 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -115.96 150.25 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 64.8 mt -66.46 118.63 55.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.18 102.0 1.3 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.825 2.35 . . . . 0.0 112.119 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . 0.486 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -72.1 -24.91 61.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -155.11 135.31 8.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.583 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -72.68 144.87 40.38 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.798 2.332 . . . . 0.0 112.115 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 143.16 152.17 5.61 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 43.9 t -115.76 134.42 59.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.718 0.294 . . . . 0.0 110.585 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -153.0 150.65 29.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . 0.524 HG22 HG22 ' B' ' 385' ' ' ILE . 1.8 pp -127.01 131.44 70.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -169.7 178.89 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.631 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . 0.522 ' CD ' ' N ' ' B' ' 184' ' ' GLU . 0.3 OUTLIER -96.26 162.06 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -78.82 138.82 21.37 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -146.65 147.05 30.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.742 0.306 . . . . 0.0 110.603 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -104.63 135.64 45.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -62.11 152.99 31.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.411 ' O ' ' CD2' ' B' ' 191' ' ' LEU . . . -85.15 -3.36 58.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.55 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.9 103.87 16.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.619 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . 0.862 HD23 ' N ' ' B' ' 191' ' ' LEU . 1.3 pt? -132.67 163.51 50.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.598 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.657 ' C ' HD22 ' B' ' 193' ' ' LEU . 53.6 Cg_endo -73.23 129.89 14.57 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.776 2.318 . . . . 0.0 112.126 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.671 ' O ' HG13 ' B' ' 197' ' ' VAL . 4.5 mm? -110.89 16.6 21.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.481 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . 0.713 ' O ' HG22 ' B' ' 197' ' ' VAL . 63.0 mtm -65.52 -39.72 92.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.502 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 52.6 mp0 -82.42 6.38 17.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . 0.608 ' NE2' HD12 ' B' ' 193' ' ' LEU . 0.7 OUTLIER -112.79 1.39 15.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.713 HG22 ' O ' ' B' ' 194' ' ' MET . 5.3 m -93.4 133.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -91.96 153.27 19.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -88.67 128.83 35.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.578 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -131.43 173.9 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 3.4 m -161.28 90.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.621 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.2 120.84 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.646 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . . . . . . . . . 2.1 mt -46.75 114.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.604 ' O ' ' HG2' ' B' ' 208' ' ' GLU . 24.6 p-10 -153.41 63.36 4.53 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.607 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 44.8 Cg_endo -71.97 -43.9 1.07 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.836 2.357 . . . . 0.0 112.137 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.02 81.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . 0.524 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 10.1 mp -79.18 -44.54 21.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' B' ' 204' ' ' ASP . 68.8 mm-40 -71.63 -56.13 6.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.644 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . 0.607 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 4.1 tmt_? -43.65 -52.39 6.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -68.74 -33.12 73.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.468 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.656 ' NE ' ' CD1' ' B' ' 309' ' ' LEU . 40.4 ttt180 -55.62 -45.19 77.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 9.5 mt -66.67 -49.68 65.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.461 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . 0.418 ' OG1' ' CZ ' ' B' ' 255' ' ' ARG . 95.4 m -56.3 -52.27 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.42 -37.54 93.36 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -73.02 -44.51 60.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.741 0.305 . . . . 0.0 110.478 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' B' ' 220' ' ' ALA . 39.3 mt -59.56 -57.69 11.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.53 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.542 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 0.7 OUTLIER -49.81 -32.2 13.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.505 ' N ' ' HG3' ' B' ' 217' ' ' GLU . 29.9 tt0 -79.18 -31.67 43.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.483 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . 0.515 ' HB2' ' ND1' ' B' ' 308' ' ' HIS . . . -89.51 -50.55 6.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.47 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.03 -49.55 73.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.522 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.547 ' O ' ' CG ' ' B' ' 225' ' ' ARG . 73.8 m-20 -63.82 -34.79 78.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.493 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.431 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 5.7 tm-20 -70.39 -31.89 69.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.538 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -58.17 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . 0.527 ' NH1' ' OD1' ' B' ' 221' ' ' ASN . 14.0 ptt180 -65.83 -26.21 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . 0.74 ' HE ' HH12 ' B' ' 229' ' ' ARG . 20.0 mmm-85 -74.32 -44.21 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' B' ' 222' ' ' GLU . 0.2 OUTLIER -67.58 -44.36 78.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.492 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . 0.485 ' HB3' ' HB3' ' B' ' 242' ' ' PHE . 90.1 p -59.85 -48.72 80.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.465 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -39.69 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . 0.74 HH12 ' HE ' ' B' ' 225' ' ' ARG . 1.1 mpp_? -69.81 -41.77 74.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.53 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.538 ' O ' ' N ' ' B' ' 234' ' ' ALA . 0.1 OUTLIER -65.17 -42.17 93.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.404 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' B' ' 239' ' ' ALA . . . -54.24 -36.31 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.488 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.3 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -123.54 -60.78 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -58.67 -163.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 110.629 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.497 ' HG2' ' H ' ' B' ' 236' ' ' LYS . 0.0 OUTLIER -94.39 -170.45 2.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . 0.497 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 60.1 tttp -75.38 -38.69 59.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.449 ' CG ' ' NE2' ' B' ' 235' ' ' GLN . 2.1 mt-10 -40.51 -53.43 2.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.538 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.562 HG22 ' SD ' ' B' ' 360' ' ' MET . 21.8 p -50.99 -56.73 11.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' B' ' 231' ' ' ALA . . . -57.87 -46.97 84.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.546 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.683 ' O ' ' OD1' ' B' ' 243' ' ' ASP . . . -61.83 -37.64 85.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.629 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.478 HD13 ' OE1' ' B' ' 356' ' ' GLN . 55.9 mt -73.9 -55.43 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.669 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' B' ' 245' ' ' TYR . 10.3 m-85 -61.63 -63.19 1.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.683 ' OD1' ' O ' ' B' ' 240' ' ' ALA . 7.9 p-10 -36.27 -40.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 0.631 ' N ' ' OD1' ' B' ' 243' ' ' ASP . 18.8 tp -71.16 -41.58 70.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.693 ' HA ' HD22 ' B' ' 248' ' ' LEU . 0.4 OUTLIER -65.29 -40.65 94.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.681 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 29.1 t -47.55 -42.3 23.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' B' ' 251' ' ' ASP . 15.6 t60 -68.51 -24.87 64.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.693 HD22 ' HA ' ' B' ' 245' ' ' TYR . 4.3 mp -65.29 -51.06 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.565 ' HG ' HD11 ' B' ' 301' ' ' LEU . 5.5 mp -61.82 -43.96 97.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 20.4 p -83.99 -6.72 59.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.682 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' B' ' 247' ' ' HIS . 39.9 t0 -49.17 109.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.646 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.89 -17.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.553 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.607 HH21 ' HB2' ' B' ' 253' ' ' ARG . 0.0 OUTLIER -75.73 -55.07 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -47.19 86.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.717 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.485 HH12 ' NE ' ' B' ' 209' ' ' ARG . 12.8 ttt85 -57.49 -47.27 82.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . 0.658 ' HE ' ' HA ' ' B' ' 256' ' ' ARG . 1.1 tpm_? -51.88 -42.06 62.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -60.17 -45.32 93.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.635 HD23 HG21 ' B' ' 275' ' ' VAL . 14.3 mt -63.12 -46.56 86.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . 0.467 ' O ' ' CD1' ' B' ' 259' ' ' PHE . 2.7 t80 -66.11 -34.56 78.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.647 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.97 95.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.18 -37.93 89.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' B' ' 205' ' ' PRO . 53.5 t -65.02 -38.32 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.25 -11.52 22.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -90.99 -21.1 21.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 118.11 18.25 5.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.7 p -99.87 163.3 12.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . 0.533 HG13 ' H ' ' B' ' 270' ' ' TRP . 12.1 p -100.51 148.11 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.49 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.634 ' HA ' ' HB3' ' B' ' 271' ' ' ALA . . . -52.09 -53.23 44.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.531 ' OE1' ' NH2' ' B' ' 211' ' ' ARG . 1.5 mp0 -36.01 -53.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.484 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . 0.533 ' H ' HG13 ' B' ' 267' ' ' VAL . 4.3 m95 -83.32 -38.22 22.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.492 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -51.95 -53.65 38.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.614 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.522 HG12 HD13 ' B' ' 258' ' ' LEU . 12.1 m -64.53 -32.49 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.51 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -72.16 -47.79 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.56 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 94.1 m -63.42 -59.29 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.635 HG21 HD23 ' B' ' 258' ' ' LEU . 76.4 t -50.92 -57.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.573 HD13 ' HA2' ' B' ' 302' ' ' GLY . 72.5 mt -54.38 -44.18 65.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.35 -38.76 88.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -64.07 -36.66 84.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.595 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -35.25 77.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.53 81.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.63 -37.33 79.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . 0.6 ' OE1' HD12 ' A' ' 50' ' ' ILE . 3.5 tt0 -65.11 -44.61 88.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -54.18 -47.0 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.655 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.36 84.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -40.5 -38.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.489 HD13 ' HB3' ' A' ' 53' ' ' LEU . 1.4 mt -64.16 151.33 43.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.596 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.23 -45.29 11.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.648 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.614 ' HB3' HD11 ' B' ' 291' ' ' LEU . 0.4 OUTLIER -41.36 130.3 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.577 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . 0.518 ' ND2' ' N ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -77.34 -41.11 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.489 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . 0.825 ' O ' ' OE2' ' B' ' 293' ' ' GLU . 19.3 t80 -39.94 -27.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.493 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.618 ' O ' ' N ' ' B' ' 294' ' ' ARG . 0.0 OUTLIER -95.84 -49.12 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' B' ' 291' ' ' LEU . 47.9 mttm -31.2 -50.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.387 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . 0.825 ' OE2' ' O ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -65.73 -41.37 92.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.444 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' B' ' 291' ' ' LEU . 0.4 OUTLIER -52.85 -35.12 57.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.442 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -46.16 -46.13 17.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -48.42 -40.88 24.03 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.563 ' HB3' ' CZ ' ' B' ' 245' ' ' TYR . 5.6 m-20 -63.66 -38.25 90.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.409 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -48.5 75.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.351 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . 0.536 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 0.2 OUTLIER -51.06 -36.8 41.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.338 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 303' ' ' GLN . . . -65.36 -36.45 84.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.402 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.565 HD11 ' HG ' ' B' ' 249' ' ' LEU . 3.1 tt -52.52 -48.47 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.367 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . 0.617 ' O ' HD12 ' B' ' 306' ' ' LEU . . . -60.29 -41.35 98.32 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . 0.838 ' HG3' ' N ' ' B' ' 304' ' ' ARG . 0.4 OUTLIER -70.03 -43.23 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.449 179.751 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.838 ' N ' ' HG3' ' B' ' 303' ' ' GLN . 4.1 mmm180 -65.14 -41.64 94.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.42 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . 0.557 ' O ' HD23 ' B' ' 305' ' ' LEU . 0.9 OUTLIER -70.67 -35.81 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.41 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . 0.617 HD12 ' O ' ' B' ' 302' ' ' GLY . 9.4 mt -64.21 -39.48 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.44 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . 0.672 ' O ' ' CD1' ' B' ' 307' ' ' PHE . 0.1 OUTLIER -67.17 -37.87 84.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.46 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.755 ' ND1' ' O ' ' B' ' 304' ' ' ARG . 42.8 m80 -75.51 -28.19 59.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.48 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.678 ' O ' HD12 ' B' ' 309' ' ' LEU . 0.1 OUTLIER -83.62 -10.05 58.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.938 ' O ' ' N ' ' B' ' 312' ' ' ALA . 38.9 t0 -133.84 71.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.572 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.28 5.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.938 ' N ' ' O ' ' B' ' 310' ' ' ASP . . . -111.41 12.47 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' B' ' 310' ' ' ASP . 2.6 m120 -115.38 93.64 4.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' B' ' 313' ' ' ASN . 0.0 OUTLIER 178.21 119.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -57.53 -173.3 0.29 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' B' ' 318' ' ' ALA . 52.3 Cg_endo -73.27 -28.56 12.38 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.722 2.281 . . . . 0.0 112.132 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 51.82 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.545 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . 0.773 ' O ' ' HD3' ' B' ' 320' ' ' PRO . . . 61.12 105.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.451 ' C ' ' O ' ' B' ' 318' ' ' ALA . 0.4 OUTLIER -35.5 89.32 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.555 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 0.773 ' HD3' ' O ' ' B' ' 318' ' ' ALA . 44.0 Cg_endo -71.51 176.83 7.51 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.826 2.35 . . . . 0.0 112.083 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -93.18 -48.17 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.65 ' O ' ' CG ' ' B' ' 323' ' ' PHE . 10.6 ptm85 -164.95 151.79 10.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.65 ' CG ' ' O ' ' B' ' 322' ' ' ARG . 26.1 m-85 -171.64 171.31 5.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' B' ' 184' ' ' GLU . 0.0 OUTLIER -116.19 139.92 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.441 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.601 ' HB3' HG13 ' B' ' 346' ' ' VAL . 2.1 tp -78.83 119.42 22.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.611 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.404 HG23 HG22 ' B' ' 324' ' ' ILE . 82.3 t -118.79 95.05 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.523 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.632 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -137.13 169.86 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 46.3 p30 -82.62 -26.37 32.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 19.2 tt0 -148.92 127.46 12.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.975 HD23 ' H ' ' B' ' 330' ' ' LEU . 1.5 pt? -80.72 131.93 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.517 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . 0.525 ' O ' ' OG1' ' B' ' 334' ' ' THR . 47.7 t -138.39 140.35 39.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.69 92.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.487 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 40.5 p -54.55 -44.01 72.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.569 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' B' ' 331' ' ' SER . 33.2 p -64.96 -48.83 72.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.576 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' B' ' 337' ' ' GLU . 95.1 mt -58.57 -32.85 69.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -66.59 5.75 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' B' ' 335' ' ' LEU . 4.8 mm-40 -99.9 -39.66 8.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.516 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 5.4 mt -107.29 151.42 40.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -73.0 137.82 27.24 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.855 2.37 . . . . 0.0 112.127 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . 0.587 ' CD ' ' O ' ' B' ' 340' ' ' GLN . 25.3 tm0? -66.0 -2.1 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.54 -39.55 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.458 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.445 HH21 ' HD3' ' B' ' 342' ' ' ARG . 0.0 OUTLIER -85.06 -17.86 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.46 101.09 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.515 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 27.9 m -118.3 17.33 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.598 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 168.81 153.08 8.09 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.601 HG13 ' HB3' ' B' ' 325' ' ' LEU . 6.7 t -139.24 150.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.578 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . 0.486 HG23 HG23 ' B' ' 369' ' ' VAL . 7.3 p -157.83 124.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.482 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 21.6 m -124.52 161.4 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . 0.496 ' HD2' HH21 ' B' ' 349' ' ' ARG . 8.4 ttm180 -83.66 -38.74 21.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.472 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.806 ' O ' ' O ' ' B' ' 351' ' ' GLY . 0.0 OUTLIER -133.32 -72.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.645 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.806 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 43.37 129.71 0.0 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . 0.589 ' HB3' ' HB3' ' B' ' 355' ' ' SER . . . -62.45 147.06 49.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.384 . . . . 0.0 110.447 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -91.88 -17.15 25.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.589 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -101.27 0.78 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . 0.589 ' HB3' ' HB3' ' B' ' 352' ' ' ALA . 77.8 p -65.71 149.67 49.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . 0.478 ' OE1' HD13 ' B' ' 241' ' ' ILE . 19.4 pt20 -55.07 -38.26 67.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.63 90.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.37 82.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.474 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 3.4 mm -68.55 -31.88 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . 0.562 ' SD ' HG22 ' B' ' 238' ' ' THR . 37.1 ttp -65.3 -41.4 94.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 1.5 t -63.48 -41.73 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -59.42 -39.93 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -78.21 -27.76 47.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.42 -34.42 78.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.51 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 91.77 20.44 37.04 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . 0.667 HG13 ' HD2' ' B' ' 367' ' ' PRO . 2.4 tp -107.56 138.66 20.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 110.633 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' B' ' 366' ' ' ILE . 54.8 Cg_endo -73.63 138.6 26.88 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.777 2.318 . . . . 0.0 112.158 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . 0.408 HG23 ' HB ' ' B' ' 346' ' ' VAL . 85.4 m -146.32 144.7 29.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.527 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . 0.486 HG23 HG23 ' B' ' 347' ' ' VAL . 2.2 m -125.38 154.29 33.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 1.034 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 10.2 mtp -131.83 161.24 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.637 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 97.67 -5.33 62.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -51.46 111.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 48.9 p-10 -102.53 55.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.545 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 6.4 mt -130.09 135.6 60.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.557 ' N ' ' OE1' ' B' ' 375' ' ' GLN . 0.4 OUTLIER -73.65 118.08 66.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.605 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' B' ' 379' ' ' LEU . 52.1 Cg_exo -48.1 -20.84 2.41 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.848 2.365 . . . . 0.0 112.162 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 46.5 t -57.13 -46.81 82.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . 0.43 HG12 ' O ' ' B' ' 375' ' ' GLN . 4.0 p -74.54 -34.67 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.625 ' O ' ' N ' ' B' ' 381' ' ' ARG . 3.1 mt -62.14 -29.81 70.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.522 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.6 ' C ' ' O ' ' B' ' 379' ' ' LEU . 2.8 m-70 22.7 -86.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.516 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' B' ' 379' ' ' LEU . 64.0 mtm-85 -139.38 24.59 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . 0.456 ' NH2' ' OD2' ' B' ' 396' ' ' ASP . 13.2 mmt180 -65.08 164.55 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 6.2 m -80.58 126.04 30.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.626 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.746 HD13 ' N ' ' B' ' 385' ' ' ILE . 0.5 OUTLIER -131.71 116.16 16.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.574 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . 0.746 ' N ' HD13 ' B' ' 384' ' ' LEU . 9.6 pt -101.04 115.4 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.599 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 88.6 t -94.85 139.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' B' ' 391' ' ' GLY . 52.5 t0 -133.28 85.88 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.533 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.45 -44.32 28.45 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -52.45 -46.07 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.532 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -95.16 -6.11 42.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 46.27 59.93 4.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.98 171.29 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' B' ' 393' ' ' LEU . 0.3 OUTLIER -139.66 128.5 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.516 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.506 ' O ' HD22 ' B' ' 384' ' ' LEU . 1.3 mt -112.21 157.55 20.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.67 ' O ' ' C ' ' B' ' 396' ' ' ASP . 8.8 p -114.55 123.59 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.478 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.67 ' C ' ' O ' ' B' ' 395' ' ' VAL . 48.1 p-10 -3.76 74.3 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.662 ' N ' ' O ' ' B' ' 395' ' ' VAL . 39.6 Cg_endo -70.29 -167.29 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.847 2.365 . . . . 0.0 112.181 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.69 135.98 95.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.538 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.2 -35.76 20.62 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.74 2.294 . . . . 0.0 112.189 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . 0.567 HG13 ' N ' ' B' ' 401' ' ' LEU . 11.9 p -63.79 -44.09 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.584 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.567 ' N ' HG13 ' B' ' 400' ' ' VAL . 74.5 mt -60.82 -41.9 96.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.67 -38.84 87.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -65.43 -58.83 4.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' B' ' 408' ' ' LEU . 4.2 tp10 -55.13 -42.16 72.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -47.06 -53.29 12.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.56 -36.27 83.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' B' ' 411' ' ' GLU . 12.3 ttp85 -75.07 -30.12 60.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.539 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 404' ' ' GLU . 7.4 tp -64.35 -48.15 76.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.67 -41.18 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.664 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 93.0 p -81.9 -13.88 56.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 407' ' ' ARG . 80.1 tt0 -46.64 -69.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' B' ' 414' ' ' GLU . 0.4 OUTLIER -167.2 -39.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.618 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 0.971 ' H ' HD12 ' B' ' 413' ' ' ILE . 2.8 mp -65.95 55.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.551 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' B' ' 412' ' ' GLU . 43.3 tt0 -89.41 112.3 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.561 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' B' ' 415' ' ' LEU . 0.1 OUTLIER -43.6 -33.6 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.497 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 43.0 m -75.47 17.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.657 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' B' ' 414' ' ' GLU . 3.0 ttp180 -143.88 -55.61 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.513 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . . . . . . . . . 6.3 tp -116.24 112.72 22.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.93 89.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -89.35 125.34 35.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -127.84 169.33 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.564 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' B' ' 424' ' ' ASN . 1.3 t70 -73.53 81.21 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.548 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 46.8 t 60.31 -77.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.692 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' B' ' 422' ' ' ASP . 5.5 t-20 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptt? . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.451 HG22 ' HB ' ' A' ' 68' ' ' THR . 67.6 p -83.67 158.97 21.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.7 t -132.9 117.66 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.645 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -122.8 174.85 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.98 ' OE1' HD21 ' A' ' 76' ' ' LEU . 5.3 pt20 -163.12 134.17 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.53 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -82.23 125.54 31.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.707 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -127.2 125.65 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.56 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -82.03 127.36 33.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 13' ' ' LEU . 48.8 mm -89.7 105.13 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 p -82.8 56.47 3.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 62.79 26.19 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.481 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 1.1 ttmp? -167.58 98.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HA ' HD12 ' A' ' 9' ' ' ILE . 2.7 mp -62.56 -3.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.535 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 15' ' ' MET . . . 112.03 25.66 4.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 1.093 ' O ' ' N ' ' A' ' 17' ' ' ALA . 4.6 mtm 83.95 33.22 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.608 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.731 ' O ' ' SD ' ' A' ' 21' ' ' MET . 0.4 OUTLIER -13.42 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.455 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 1.093 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -51.29 -10.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.493 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.839 ' H ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -136.67 -51.98 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.498 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.839 ' HD2' ' H ' ' A' ' 18' ' ' ARG . 51.4 Cg_exo -49.54 -60.34 0.89 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.921 2.414 . . . . 0.0 112.123 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB3' ' HE1' ' A' ' 21' ' ' MET . . . -55.87 -45.38 78.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.731 ' SD ' ' O ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -66.75 -43.86 82.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -60.99 -37.32 82.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.489 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' HA ' HD12 ' A' ' 23' ' ' LEU . 17.6 tp -49.39 -47.73 47.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.617 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 16.5 m-85 -55.45 -39.48 70.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.467 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -73.48 -34.38 65.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.52 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.642 HD22 ' CE1' ' A' ' 30' ' ' PHE . 85.3 mt -67.26 -44.04 80.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.628 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.609 ' CE ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -54.86 -34.05 62.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -79.19 -32.76 44.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.574 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.91 -33.99 31.9 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.642 ' CE1' HD22 ' A' ' 26' ' ' LEU . 16.3 m-85 -103.54 158.88 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.595 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 41.0 t0 -101.44 93.62 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.683 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.609 ' O ' ' CE ' ' A' ' 27' ' ' MET . . . 168.17 156.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.463 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -100.93 129.49 46.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.583 HG23 ' CE ' ' A' ' 27' ' ' MET . 90.6 t -106.62 133.72 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.1 mt -134.19 138.08 44.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.631 HD22 HG22 ' A' ' 65' ' ' VAL . 20.4 mt -107.51 149.92 27.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.484 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.475 HH21 ' HD2' ' A' ' 37' ' ' ARG . 37.6 mtm180 -146.39 135.38 22.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -92.9 154.84 17.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -27.88 16.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.553 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -68.27 -11.03 58.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.75 11.32 59.27 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.24 117.22 23.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.332 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.25 102.78 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.558 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.639 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -88.66 65.6 7.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -40.98 121.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.617 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -63.58 -9.07 11.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -100.23 27.24 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 t -145.94 124.5 12.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.676 ' O ' HD13 ' A' ' 53' ' ' LEU . 7.3 p -63.89 -35.91 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.413 ' N ' HG13 ' A' ' 49' ' ' VAL . 90.2 mt -60.75 -37.52 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.593 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.14 -43.14 92.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.618 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD21 ' HE1' ' A' ' 21' ' ' MET . 41.5 tp -57.88 -38.47 75.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.708 ' CD1' ' N ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.3 -36.07 82.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.7 mtt -67.41 -40.3 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 4.1 mt -60.15 -35.74 75.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -52.44 -34.27 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.4 t -77.87 -6.4 54.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.04 29.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 96.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.18 4.66 38.23 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HD3' HH21 ' A' ' 61' ' ' ARG . 7.9 mtm180 -105.35 164.63 11.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 0.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -98.08 143.68 28.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 pt -131.23 162.07 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.595 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.448 ' OE2' ' HB2' ' A' ' 4' ' ' LYS . 19.6 tp10 -124.0 101.36 7.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.631 HG22 HD22 ' A' ' 36' ' ' LEU . 89.0 t -81.05 128.15 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -120.33 138.41 53.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.28 130.85 31.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.525 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.6 t -123.98 128.73 49.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.468 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 32' ' ' ALA . . . 142.64 161.29 8.72 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.67 ' O ' ' OE2' ' A' ' 73' ' ' GLU . 54.7 Cg_exo -46.91 -44.56 22.41 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.839 2.359 . . . . 0.0 112.127 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 74' ' ' GLU . 14.5 mm100 -93.94 5.87 50.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 16.7 pt-20 -37.13 -36.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.671 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.67 ' OE2' ' O ' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -64.6 -49.75 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.61 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' GLN . 36.2 tp10 -56.91 -52.12 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.17 -49.45 71.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.98 HD21 ' OE1' ' A' ' 5' ' ' GLN . 6.3 tt -64.7 -44.53 89.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 80' ' ' ILE . . . -62.43 -42.27 99.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.98 99.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.532 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.88 -42.74 89.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.548 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.759 HD12 ' OE1' ' A' ' 5' ' ' GLN . 0.8 OUTLIER -64.43 -41.08 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.519 ' N ' ' CG2' ' A' ' 80' ' ' ILE . . . -64.18 -35.59 81.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -73.61 -39.23 64.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.472 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.714 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.02 -24.05 61.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.512 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -89.03 -3.18 58.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.559 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' B' ' 393' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.48 129.48 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.659 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -84.13 103.18 13.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -101.23 159.62 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 6.4 mp -74.4 119.64 77.52 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.51 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.51 107.13 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.912 2.408 . . . . 0.0 112.195 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . 0.459 ' HB1' ' NH2' ' B' ' 362' ' ' ARG . . . -89.44 -34.03 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.608 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.524 ' HB3' ' H ' ' B' ' 368' ' ' THR . . . -138.75 102.37 7.77 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.14 135.45 18.88 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.82 2.346 . . . . 0.0 112.143 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 143.46 171.24 13.63 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . 0.526 HG22 ' N ' ' B' ' 181' ' ' ALA . 8.7 p -125.42 159.35 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.301 . . . . 0.0 110.619 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . 0.526 ' N ' HG22 ' B' ' 180' ' ' VAL . . . -163.72 147.26 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 1.4 pp -129.49 128.73 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.617 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' B' ' 182' ' ' ILE . . . 177.78 177.32 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.511 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . 0.623 ' H ' ' CD ' ' B' ' 184' ' ' GLU . 2.2 pm0 -81.03 165.99 21.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -99.45 134.05 11.53 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . 0.454 ' HB3' ' O ' ' B' ' 324' ' ' ILE . 80.9 t90 -110.57 102.86 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.731 0.301 . . . . 0.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . 0.546 ' O ' ' NE2' ' B' ' 187' ' ' GLN . 0.0 OUTLIER -69.38 138.01 53.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.5 ' OD1' ' OG1' ' B' ' 190' ' ' THR . 40.6 t0 -76.45 99.92 5.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.582 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.643 ' O ' ' CD1' ' B' ' 191' ' ' LEU . . . -72.06 -9.32 58.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . 0.5 ' OG1' ' OD1' ' B' ' 188' ' ' ASP . 80.8 p -64.79 109.46 2.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . 0.678 ' O ' ' N ' ' B' ' 193' ' ' LEU . 0.7 OUTLIER -116.52 153.48 48.95 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.54 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.729 ' C ' ' H ' ' B' ' 194' ' ' MET . 52.8 Cg_exo -47.78 71.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.858 2.372 . . . . 0.0 112.116 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.678 ' N ' ' O ' ' B' ' 191' ' ' LEU . 1.0 OUTLIER -46.77 -0.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.624 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . 0.729 ' H ' ' C ' ' B' ' 192' ' ' PRO . 2.1 mmt -75.05 -50.95 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.529 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -80.86 -12.65 59.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -97.39 31.48 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.519 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -95.25 160.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.556 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -173.05 88.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.17 153.51 51.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.611 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -67.61 -167.92 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 41.3 t -120.93 83.87 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 70.6 m -129.99 119.67 23.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 0.809 HD23 ' N ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -82.93 136.04 34.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.712 ' OD1' ' OE2' ' B' ' 208' ' ' GLU . 1.2 p30 -153.49 77.01 6.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.615 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -47.22 -24.75 3.92 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.789 2.326 . . . . 0.0 112.11 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -78.37 -48.75 14.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.489 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' B' ' 211' ' ' ARG . 74.9 mt -80.41 -42.98 21.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.712 ' OE2' ' OD1' ' B' ' 204' ' ' ASP . 0.6 OUTLIER -59.16 -59.64 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.489 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -55.78 -45.33 78.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -68.38 -40.66 81.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' B' ' 207' ' ' LEU . 34.9 mtp180 -55.84 -44.09 77.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.469 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.529 ' CD1' HD13 ' B' ' 258' ' ' LEU . 3.4 mm? -67.83 -50.38 56.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 27.8 m -53.59 -47.99 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.75 -35.7 92.36 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . 0.712 ' HB2' HD12 ' B' ' 309' ' ' LEU . . . -68.99 -45.37 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.506 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.74 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.6 OUTLIER -58.46 -42.53 87.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.54 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.626 ' HG2' ' ND2' ' B' ' 221' ' ' ASN . 0.0 OUTLIER -58.83 -27.09 64.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.515 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -92.58 -33.48 14.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.445 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . 0.694 ' O ' ' HG3' ' B' ' 222' ' ' GLU . . . -91.17 -36.38 13.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -72.85 -51.76 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.518 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.626 ' ND2' ' HG2' ' B' ' 217' ' ' GLU . 88.8 m-20 -59.32 -44.69 92.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.694 ' HG3' ' O ' ' B' ' 219' ' ' ALA . 0.0 OUTLIER -62.03 -39.13 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.413 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . 0.503 ' N ' ' OE2' ' B' ' 222' ' ' GLU . 0.2 OUTLIER -64.04 -52.22 60.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 28.6 ttm105 -66.26 -38.77 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.512 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -66.68 -34.25 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.65 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 10.5 m-30 -59.69 -47.97 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.523 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.72 -48.72 40.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -59.2 -36.89 76.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . 0.407 ' NH1' ' CD1' ' B' ' 226' ' ' TYR . 3.6 ttm-85 -66.78 -43.28 84.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -71.07 -40.22 71.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -55.07 -31.93 61.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -53.76 -18.82 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . 0.917 ' O ' ' O ' ' B' ' 234' ' ' ALA . . . -157.09 -97.67 0.13 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.917 ' O ' ' O ' ' B' ' 233' ' ' GLY . . . 7.5 -140.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.568 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.484 ' O ' ' OG1' ' B' ' 238' ' ' THR . 20.6 pt20 -128.13 179.21 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -73.23 -30.86 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.466 ' OE1' ' NE2' ' B' ' 235' ' ' GLN . 2.8 tt0 -57.04 -35.61 69.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.608 ' O ' HG12 ' B' ' 241' ' ' ILE . 39.9 p -63.26 -56.87 12.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -68.88 -26.97 65.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.43 99.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.692 HG13 ' H ' ' B' ' 242' ' ' PHE . 21.9 pt -73.38 -54.6 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.692 ' H ' HG13 ' B' ' 241' ' ' ILE . 22.8 m-85 -52.97 -65.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 242' ' ' PHE . 19.9 t70 -38.23 -37.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 1.021 HD23 ' O ' ' B' ' 244' ' ' LEU . 4.8 tt -71.51 -42.24 68.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' B' ' 242' ' ' PHE . 2.0 m-85 -68.74 -37.13 79.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . 0.647 ' O ' HD23 ' B' ' 249' ' ' LEU . 74.0 m -47.42 -47.56 26.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.601 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.517 ' HA ' ' OG ' ' B' ' 250' ' ' SER . 0.0 OUTLIER -81.46 -20.35 40.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.626 ' O ' ' OD2' ' B' ' 251' ' ' ASP . 5.2 tt -66.1 -50.4 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.657 HD23 ' H ' ' B' ' 250' ' ' SER . 0.3 OUTLIER -79.65 -36.99 36.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.653 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . 0.657 ' H ' HD23 ' B' ' 249' ' ' LEU . 27.7 p -67.24 -20.17 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.752 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 53.3 p30 -49.7 133.11 21.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' B' ' 256' ' ' ARG . 0.2 OUTLIER -58.81 4.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.609 ' H ' ' C ' ' B' ' 251' ' ' ASP . 5.7 mtm-85 -87.54 -43.57 11.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . 0.488 HD22 ' HA ' ' B' ' 249' ' ' LEU . 17.8 tp -59.72 -51.93 67.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.619 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' B' ' 250' ' ' SER . 0.0 OUTLIER -66.41 -42.62 87.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' B' ' 252' ' ' THR . 9.3 tmm_? -55.07 -49.77 70.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.613 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -58.8 -45.27 90.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.582 ' CD2' HG21 ' B' ' 275' ' ' VAL . 29.2 mt -59.92 -54.96 40.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.591 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -57.88 -35.96 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.674 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.7 86.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . 0.413 ' C ' ' OG ' ' B' ' 266' ' ' SER . 76.9 mm-40 -65.4 -37.59 87.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.517 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 98.1 t -64.33 -38.41 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.598 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -57.67 -18.23 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.524 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -93.52 -24.88 17.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.557 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 124.47 24.93 1.69 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . 0.413 ' OG ' ' C ' ' B' ' 261' ' ' GLU . 53.1 p -95.19 158.46 15.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.604 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 28.2 t -104.06 148.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.525 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -49.53 -40.47 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.439 ' CD ' HH12 ' B' ' 211' ' ' ARG . 2.3 mp0 -52.85 -48.63 66.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -82.45 -34.17 28.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.506 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -55.2 -50.89 68.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.741 ' O ' HG23 ' B' ' 276' ' ' ILE . 32.9 m -63.42 -33.8 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.499 ' O ' HG12 ' B' ' 276' ' ' ILE . 30.6 ttpt -73.56 -48.68 31.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.58 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 33.9 p -61.08 -53.98 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.582 HG21 ' CD2' ' B' ' 258' ' ' LEU . 53.6 t -49.55 -61.58 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.469 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.741 HG23 ' O ' ' B' ' 272' ' ' VAL . 36.2 pt -53.89 -38.88 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.465 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.65 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 4.3 mm-40 -66.12 -44.08 85.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.01 -37.89 84.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -73.48 -30.35 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.86 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.65 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 5.5 mp0 -69.12 -47.66 64.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . 0.426 ' O ' HD12 ' B' ' 286' ' ' LEU . 1.4 mt-30 -64.1 -32.7 74.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.57 ' O ' HD11 ' B' ' 291' ' ' LEU . 0.8 OUTLIER -63.63 -52.52 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -64.2 -45.49 88.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.565 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -36.21 -39.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.63 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.718 HD13 HD13 ' B' ' 291' ' ' LEU . 1.0 OUTLIER -67.04 161.69 23.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.575 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 10.6 m -106.88 -24.75 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.46 ' OD2' ' HB3' ' B' ' 286' ' ' LEU . 0.0 OUTLIER -43.88 125.86 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.619 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -65.17 -50.7 64.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.466 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . 0.404 ' CE2' ' NE2' ' A' ' 16' ' ' HIS . 5.8 t80 -49.39 -23.19 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.546 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.718 HD13 HD13 ' B' ' 286' ' ' LEU . 0.0 OUTLIER -84.9 -62.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.476 ' H ' HD23 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -38.38 -39.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.482 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -71.97 -47.42 52.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.365 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 291' ' ' LEU . 60.0 mtp180 -59.72 -27.94 66.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.408 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -50.18 -46.2 54.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -47.31 -43.73 19.84 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.491 ' HB3' ' CE1' ' B' ' 245' ' ' TYR . 4.6 m-20 -64.63 -38.96 92.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 110.349 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . 0.519 HD12 ' CE1' ' B' ' 283' ' ' PHE . 1.1 tt -54.52 -54.02 46.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.454 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . 0.411 ' HD2' ' O ' ' B' ' 299' ' ' ARG . 5.5 tmm_? -52.02 -39.61 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.317 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' B' ' 303' ' ' GLN . . . -65.62 -38.29 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.289 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.494 HD13 ' O ' ' B' ' 301' ' ' LEU . 0.2 OUTLIER -54.26 -46.22 72.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.417 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.96 -41.45 98.65 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . 0.542 ' HG2' ' N ' ' B' ' 304' ' ' ARG . 1.2 pt20 -67.62 -39.39 84.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.286 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.542 ' N ' ' HG2' ' B' ' 303' ' ' GLN . 6.5 mmm-85 -66.31 -42.68 87.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.364 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . . . . . . . . . 3.2 tt -69.44 -35.08 75.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.385 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -42.28 97.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.433 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' B' ' 310' ' ' ASP . 1.4 m-85 -62.95 -43.31 99.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.462 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.844 ' CE1' HD21 ' B' ' 313' ' ' ASN . 73.6 m-70 -69.19 -23.12 63.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.464 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.712 HD12 ' HB2' ' B' ' 215' ' ' ALA . 5.7 tp -62.23 -14.57 39.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.476 ' C ' ' N ' ' B' ' 312' ' ' ALA . 0.4 OUTLIER -113.45 118.45 34.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.538 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' B' ' 313' ' ' ASN . 6.0 t70 -48.09 -12.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.581 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' B' ' 313' ' ' ASN . . . -75.0 20.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.527 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.844 HD21 ' CE1' ' B' ' 308' ' ' HIS . 9.7 t-20 -31.62 111.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.507 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.12 -77.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 48.41 -108.54 0.39 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -73.09 -33.51 7.37 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.833 2.356 . . . . 0.0 112.131 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 52.0 t30 49.78 -110.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -175.57 117.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 1.078 ' HB3' ' HD2' ' B' ' 320' ' ' PRO . 88.2 m95 -79.66 -173.0 0.37 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 1.078 ' HD2' ' HB3' ' B' ' 319' ' ' TRP . 51.1 Cg_exo -48.97 159.51 0.93 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.797 2.332 . . . . 0.0 112.11 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.93 16.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.617 ' H ' ' C ' ' B' ' 320' ' ' PRO . 19.5 mtp85 -130.63 108.54 9.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.551 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 0.2 OUTLIER 172.58 148.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.69 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.563 HG12 ' HA2' ' B' ' 185' ' ' GLY . 1.9 pt -113.14 158.38 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.575 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 59.8 mt -89.93 130.7 36.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.654 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 4.1 t -134.4 96.09 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.18 149.03 48.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -63.5 -30.09 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.554 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.16 131.08 38.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.537 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.611 ' O ' HD12 ' B' ' 330' ' ' LEU . 0.3 OUTLIER -84.19 140.46 31.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.54 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 45.8 t -142.74 124.26 14.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -54.81 -41.36 70.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.414 HG21 ' CB ' ' B' ' 300' ' ' ALA . 90.5 m -59.85 -46.05 90.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 86.4 m -58.19 -53.52 57.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.487 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.667 HD21 HD22 ' B' ' 343' ' ' LEU . 0.4 OUTLIER -54.62 -31.81 57.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.512 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -72.67 16.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' B' ' 335' ' ' LEU . 96.1 mt-10 -109.01 -32.63 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.585 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.438 ' H ' HD12 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -107.87 125.1 32.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.35 148.63 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.867 2.378 . . . . 0.0 112.083 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.17 -10.03 55.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -70.67 -42.0 71.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.564 ' O ' HG23 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -78.8 -26.54 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.556 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.667 HD22 HD21 ' B' ' 335' ' ' LEU . 18.0 tp -66.97 104.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.564 HG23 ' O ' ' B' ' 342' ' ' ARG . 10.7 t -122.33 3.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.522 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 179.79 161.41 26.99 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 96.7 t -141.32 141.0 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 59.4 t -146.32 121.21 2.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.464 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 69.0 t -119.54 152.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.565 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . 0.547 ' HE ' ' C ' ' B' ' 373' ' ' ASP . 1.6 tpt180 -84.66 -40.69 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.61 ' O ' ' C ' ' B' ' 351' ' ' GLY . 5.1 t70 -135.54 -84.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 20.42 62.33 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . 0.79 ' O ' ' HB3' ' B' ' 353' ' ' ALA . . . -83.69 175.54 9.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 110.531 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' B' ' 352' ' ' ALA . . . 93.75 -170.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.599 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . 0.844 ' O ' ' HB3' ' B' ' 358' ' ' ALA . 7.3 p-10 -73.31 -38.93 65.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . 0.778 ' O ' ' O ' ' B' ' 354' ' ' ASN . 0.1 OUTLIER 36.11 114.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' B' ' 355' ' ' SER . 5.6 mp0 -38.22 -39.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.48 -45.3 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . 0.844 ' HB3' ' O ' ' B' ' 354' ' ' ASN . . . -58.32 -46.92 85.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 13.9 tt -72.02 -26.21 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -67.01 -49.48 65.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.554 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.407 HG23 ' N ' ' B' ' 362' ' ' ARG . 16.7 m -63.19 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.581 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.507 ' NH1' ' HB1' ' B' ' 358' ' ' ALA . 12.2 mtm-85 -59.05 -52.01 67.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.56 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.48 -27.07 68.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.457 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -30.7 68.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.576 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 88.11 29.7 19.34 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 96.5 mt -108.55 126.35 29.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.658 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.53 120.56 4.64 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.818 2.345 . . . . 0.0 112.121 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . 0.524 ' H ' ' HB3' ' B' ' 177' ' ' ALA . 91.8 m -142.62 145.43 33.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.551 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 19.2 m -141.07 154.33 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.642 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.439 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 6.1 ptp -135.73 171.0 15.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.497 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 84.98 3.76 87.55 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . 0.514 ' O ' ' NE ' ' B' ' 349' ' ' ARG . . . -53.6 115.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.752 0.31 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . 0.547 ' C ' ' HE ' ' B' ' 349' ' ' ARG . 74.6 m-20 -79.96 28.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.546 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.542 ' N ' ' HE ' ' B' ' 349' ' ' ARG . 6.7 tp -126.08 128.28 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.576 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.596 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 1.3 mp0 -77.49 151.76 80.66 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.617 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -72.71 -16.11 26.74 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.892 2.394 . . . . 0.0 112.083 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 28.9 t -64.98 -37.07 86.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.448 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . 0.663 HG12 ' O ' ' B' ' 378' ' ' VAL . 24.9 t -92.03 23.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.71 ' O ' ' N ' ' B' ' 381' ' ' ARG . 61.9 mt -125.95 -21.71 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' B' ' 185' ' ' GLY . 2.3 t-160 23.29 -82.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' B' ' 379' ' ' LEU . 9.3 ptp180 -144.28 25.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -65.86 173.48 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.547 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 70.9 p -82.79 127.18 33.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.564 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 4.4 tt -124.68 148.37 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.483 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.75 103.26 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 9.3 p -92.21 147.06 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.551 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.649 ' O ' ' N ' ' B' ' 391' ' ' GLY . 66.7 t0 -135.04 76.69 1.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -48.06 -42.56 23.67 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -49.58 -47.21 49.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.481 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . 0.458 HH11 ' CG2' ' B' ' 413' ' ' ILE . 9.8 tpp180 -105.37 -0.19 26.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.649 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 51.98 44.02 55.89 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -112.01 150.12 31.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.454 ' C ' HD12 ' B' ' 394' ' ' LEU . 3.0 tt -126.49 118.99 26.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.473 HD23 ' HG3' ' B' ' 397' ' ' PRO . 11.1 mp -106.51 150.88 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.586 ' O ' ' C ' ' B' ' 396' ' ' ASP . 58.9 t -122.31 101.99 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.586 ' C ' ' O ' ' B' ' 395' ' ' VAL . 39.0 t70 24.44 59.82 0.39 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.564 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.473 ' HG3' HD23 ' B' ' 394' ' ' LEU . 46.8 Cg_endo -72.19 178.93 5.44 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.879 2.386 . . . . 0.0 112.077 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . 0.435 ' OE1' ' HD2' ' B' ' 399' ' ' PRO . 20.2 mm-40 -48.53 125.95 12.67 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . 0.435 ' HD2' ' OE1' ' B' ' 398' ' ' GLU . 53.1 Cg_exo -47.48 -35.55 22.1 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.873 2.382 . . . . 0.0 112.178 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 78.3 t -70.15 -48.7 60.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . . . . . . . . . 5.8 mp -54.96 -51.57 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . 0.542 HD23 ' C ' ' B' ' 402' ' ' LEU . 4.7 tt -62.45 -32.45 73.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.613 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.19 -57.22 13.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.527 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -67.79 -46.99 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -45.44 -50.74 12.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.569 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -62.2 -37.02 83.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -75.06 -35.59 61.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.89 -54.5 13.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.13 -34.47 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 87.2 p -78.95 -19.48 51.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.587 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.72 44.35 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 0.583 ' O ' ' O ' ' B' ' 418' ' ' LEU . 44.8 tp10 -170.53 -114.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 0.684 ' O ' ' C ' ' B' ' 414' ' ' GLU . 81.4 mt -31.74 -38.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.597 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 0.737 ' O ' ' N ' ' B' ' 418' ' ' LEU . 0.2 OUTLIER -7.76 109.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.522 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.52 -13.31 61.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.588 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 65.5 p -82.83 -10.77 58.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . 0.498 HH21 ' HD2' ' B' ' 417' ' ' ARG . 33.8 mtm105 -147.51 -24.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.666 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . 0.737 ' N ' ' O ' ' B' ' 414' ' ' GLU . 3.4 tp 79.92 -154.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -78.62 138.52 38.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.617 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' B' ' 420' ' ' GLU . 58.1 mp0 -116.06 -43.07 3.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.21 -170.12 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.542 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.8 -165.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.502 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . 0.588 HG12 ' CG ' ' B' ' 424' ' ' ASN . 53.7 t -77.13 132.1 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . 0.588 ' CG ' HG12 ' B' ' 423' ' ' VAL . 2.0 m120 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.539 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.6 p -83.05 159.04 22.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 3' ' ' VAL . 2.6 p -132.98 119.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.463 ' HD2' HH12 ' A' ' 37' ' ' ARG . 4.9 pttp -127.41 172.4 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.492 ' O ' HG22 ' A' ' 65' ' ' VAL . 59.7 tt0 -161.46 134.04 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.481 ' OG1' ' NE2' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -79.21 128.91 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -129.64 124.03 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.29 127.35 32.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.541 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 mm -90.6 105.79 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.667 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.7 p -83.14 57.16 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.473 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 11' ' ' ASN . 6.8 t-20 61.18 26.84 16.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.503 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 8.5 ttpt -167.33 98.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.976 HD22 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.36 -5.26 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.684 ' O ' ' SD ' ' A' ' 15' ' ' MET . . . 153.8 -67.53 0.31 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.684 ' SD ' ' O ' ' A' ' 14' ' ' GLY . 0.5 OUTLIER -152.75 -163.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.704 0.288 . . . . 0.0 110.501 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.705 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 31.1 m80 -43.61 -38.51 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.483 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.878 ' HB3' HH11 ' A' ' 18' ' ' ARG . . . 159.97 5.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.909 ' N ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -53.98 -47.19 97.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.654 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.6 Cg_exo -47.36 -55.75 3.66 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.793 2.328 . . . . 0.0 112.07 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.22 -47.74 82.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.496 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.525 ' SD ' ' O ' ' B' ' 240' ' ' ALA . 41.7 mtm -65.84 -41.64 91.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' NZ ' ' HB3' ' A' ' 18' ' ' ARG . 48.6 mttp -62.51 -37.63 86.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -50.04 -45.64 52.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.605 ' CE2' ' NE2' ' B' ' 247' ' ' HIS . 2.6 m-85 -55.9 -40.82 73.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -72.0 -35.92 69.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.471 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 22' ' ' LYS . 9.5 mp -66.94 -42.72 84.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 ttp -55.85 -31.42 62.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -83.56 -29.74 27.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.529 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.69 -31.75 29.06 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -106.91 153.73 22.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.669 0.271 . . . . 0.0 110.638 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.594 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 59.0 t0 -96.12 95.17 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 167.95 156.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.58 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -101.83 128.25 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.5 t -105.7 134.64 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mp -136.08 137.74 41.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 2.0 tt -106.84 151.6 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.689 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.463 HH12 ' HD2' ' A' ' 4' ' ' LYS . 54.5 mtm180 -147.92 134.08 19.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -91.8 155.58 18.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.456 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -52.49 -28.28 19.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.62 -11.46 58.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.76 11.53 59.01 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -84.25 117.48 23.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.352 . . . . 0.0 110.492 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.08 103.19 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.617 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.637 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.18 64.79 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -40.34 121.33 1.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -9.61 12.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 85.1 m-20 -99.77 27.41 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.58 124.18 12.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.27 -35.46 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.9 tt -61.81 -36.5 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.637 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.21 -41.79 89.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.547 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.29 -38.39 80.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.326 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -65.72 -34.0 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.537 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 1.227 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -70.71 -35.03 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' A' ' 36' ' ' LEU . 51.2 tp -64.51 -34.98 79.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' OD2' ' OD2' ' B' ' 288' ' ' ASP . 5.4 m-20 -53.45 -35.0 60.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -75.99 -7.07 53.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.633 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.06 29.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -69.31 97.3 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.11 6.93 38.92 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.03 164.51 12.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.606 ' NE2' ' O ' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -97.53 142.37 29.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -130.39 161.06 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.639 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.611 ' N ' HG12 ' A' ' 63' ' ' ILE . 17.2 mp0 -123.32 101.44 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.555 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 5' ' ' GLN . 7.9 m -81.37 128.16 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -120.67 138.58 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 3' ' ' VAL . . . -137.52 131.04 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.46 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 9.3 t -123.95 129.43 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.472 ' O ' ' HG2' ' A' ' 72' ' ' GLU . . . 142.19 162.32 9.16 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.83 -45.11 25.3 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.857 2.372 . . . . 0.0 112.059 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 72' ' ' GLU . 34.0 mt-30 -94.3 7.2 46.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.507 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 69' ' ' GLY . 19.5 pt-20 -38.44 -36.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 14.5 pt-20 -64.3 -49.2 72.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 73' ' ' GLU . 33.9 tp10 -57.24 -51.95 67.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.655 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.032 ' O ' HG13 ' A' ' 79' ' ' VAL . . . -55.2 -49.26 72.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.957 ' O ' HG22 ' A' ' 79' ' ' VAL . 0.8 OUTLIER -64.83 -44.03 91.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.501 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.83 99.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.97 97.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.45 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.032 HG13 ' O ' ' A' ' 75' ' ' ALA . 2.5 m -66.38 -42.67 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.434 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -64.53 -41.85 93.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.525 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.72 -35.64 81.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.466 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.7 mt -73.85 -38.12 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 13' ' ' LEU . 12.7 m-30 -69.47 -31.6 69.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.564 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.437 ' O ' ' CB ' ' A' ' 85' ' ' SER . 8.8 m120 -82.37 -4.83 58.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 1.1 t . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . 0.466 ' HB3' HH21 ' B' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . 0.687 HD12 HD11 ' B' ' 393' ' ' LEU . 59.6 mt -131.59 130.02 62.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.624 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.79 ' HE ' ' N ' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -80.72 113.51 18.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.844 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -116.84 159.07 22.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' B' ' 370' ' ' MET . 58.3 mt -74.53 118.55 70.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.496 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . 0.404 ' HB3' ' O ' ' B' ' 388' ' ' GLY . 52.7 Cg_endo -73.25 106.12 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.746 2.297 . . . . 0.0 112.131 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . 1.091 ' HB2' ' SD ' ' B' ' 370' ' ' MET . . . -83.86 -36.68 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.536 ' HB3' ' H ' ' B' ' 368' ' ' THR . . . -135.84 133.31 19.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.416 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.04 143.27 40.09 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.787 2.325 . . . . 0.0 112.067 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 134.98 161.93 9.59 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.8 p -129.93 148.21 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 0.0 110.523 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -156.64 155.04 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.518 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . 0.462 ' O ' ' NH2' ' B' ' 322' ' ' ARG . 4.3 tt -124.89 128.29 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -173.49 175.18 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' B' ' 382' ' ' ARG . 93.3 mt-10 -85.3 163.74 18.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -104.78 126.59 8.76 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . 0.605 ' C ' ' CD1' ' B' ' 186' ' ' TRP . 0.0 OUTLIER -110.1 159.5 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.719 0.295 . . . . 0.0 110.587 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -115.39 139.0 50.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.572 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.617 ' OD1' ' OG1' ' B' ' 190' ' ' THR . 33.8 t0 -76.28 82.34 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -48.94 -10.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . 0.617 ' OG1' ' OD1' ' B' ' 188' ' ' ASP . 11.6 m -46.24 103.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.521 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . 0.658 ' O ' ' N ' ' B' ' 193' ' ' LEU . 6.1 mt -101.44 144.75 29.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.559 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.58 ' O ' ' N ' ' B' ' 194' ' ' MET . 52.0 Cg_exo -47.93 72.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.825 2.35 . . . . 0.0 112.008 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.658 ' N ' ' O ' ' B' ' 191' ' ' LEU . 90.3 mt -43.08 -14.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.681 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . 0.58 ' N ' ' O ' ' B' ' 192' ' ' PRO . 19.9 mtt -69.01 -44.05 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.66 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -78.29 -8.45 58.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . 0.515 ' NE2' HD23 ' B' ' 193' ' ' LEU . 18.2 mt-30 -82.05 -7.65 59.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.504 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.512 HG13 ' O ' ' B' ' 194' ' ' MET . 35.2 m -56.67 154.53 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.566 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -119.24 137.19 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -62.74 135.47 57.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -170.58 125.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.625 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 22.8 p -104.54 86.88 2.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 53.3 p -146.33 105.3 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 0.454 ' HG ' ' H ' ' B' ' 203' ' ' LEU . 0.1 OUTLIER -71.81 141.29 49.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.436 ' N ' ' HD3' ' B' ' 205' ' ' PRO . 3.4 m-20 -159.31 60.68 1.63 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.617 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.564 ' O ' ' CB ' ' B' ' 209' ' ' ARG . 52.7 Cg_exo -47.6 -30.67 12.71 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.865 2.377 . . . . 0.0 112.122 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -78.49 -52.28 8.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.456 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 1.9 tp -74.77 -29.76 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.546 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.455 ' HA ' ' OE1' ' B' ' 208' ' ' GLU . 52.9 mm-40 -78.54 -55.97 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . 0.564 ' CB ' ' O ' ' B' ' 205' ' ' PRO . 0.2 OUTLIER -50.94 -53.23 34.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.503 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' B' ' 211' ' ' ARG . 14.8 pt-20 -64.55 -39.15 93.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.501 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.605 ' NH2' ' OE2' ' B' ' 269' ' ' GLU . 14.6 ttt-85 -56.87 -43.23 81.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.471 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.421 HD11 HD12 ' B' ' 258' ' ' LEU . 30.6 mt -66.96 -57.3 7.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . 0.549 ' O ' ' OE2' ' B' ' 217' ' ' GLU . 77.6 p -49.76 -51.14 41.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.527 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -59.02 -36.67 89.45 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -71.68 -45.34 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.424 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.666 ' O ' ' N ' ' B' ' 220' ' ' ALA . 0.6 OUTLIER -56.46 -52.59 64.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.437 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.549 ' OE2' ' O ' ' B' ' 213' ' ' THR . 1.0 OUTLIER -53.6 -30.91 44.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.457 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -75.76 -36.37 59.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.445 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -93.14 -48.93 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -54.94 -49.03 72.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.512 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.601 ' C ' ' HE ' ' B' ' 225' ' ' ARG . 89.9 m-20 -63.78 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.46 ' O ' ' CD1' ' B' ' 226' ' ' TYR . 34.3 tt0 -62.78 -46.62 87.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.499 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -68.35 -43.34 77.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . 0.433 HH21 ' HD3' ' B' ' 224' ' ' ARG . 12.2 ttp180 -63.97 -49.14 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.453 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . 0.601 ' HE ' ' C ' ' B' ' 221' ' ' ASN . 90.1 mtm180 -66.23 -30.02 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 1.3 m-85 -59.62 -44.24 93.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.562 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 69.4 m -48.96 -40.49 30.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -61.56 -23.95 66.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -76.29 -46.68 26.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.842 ' CE2' ' HB2' ' B' ' 239' ' ' ALA . 0.0 OUTLIER -51.23 -39.45 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -40.34 -25.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -66.02 -39.54 90.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.588 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -86.56 -125.59 1.87 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . . . . . . . . . . . -165.19 41.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.519 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.583 ' OE1' ' HB3' ' B' ' 363' ' ' ALA . 0.0 OUTLIER -111.59 89.74 3.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.621 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -62.47 -20.12 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.514 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -62.23 -45.61 92.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.516 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.413 ' CG2' ' SD ' ' B' ' 360' ' ' MET . 28.6 p -62.0 -54.57 39.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . 0.842 ' HB2' ' CE2' ' B' ' 230' ' ' PHE . . . -58.27 -46.15 86.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.525 ' O ' ' SD ' ' A' ' 21' ' ' MET . . . -61.37 -45.31 94.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.479 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.85 -52.96 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.523 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' B' ' 245' ' ' TYR . 10.9 m-30 -56.82 -57.07 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.584 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' B' ' 242' ' ' PHE . 4.5 t70 -33.66 -46.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 0.827 HD23 ' O ' ' B' ' 244' ' ' LEU . 1.8 tt -77.65 -39.46 45.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' B' ' 242' ' ' PHE . 8.5 t80 -55.0 -53.31 57.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 83.6 p -52.83 -50.17 64.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.605 ' NE2' ' CE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -67.33 -32.23 73.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.507 ' HG ' HD12 ' B' ' 249' ' ' LEU . 7.4 tp -65.68 -46.34 79.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.577 ' O ' ' NH2' ' B' ' 255' ' ' ARG . 8.7 mp -70.66 -43.32 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.617 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 89.3 p -78.65 -7.49 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.473 ' OD1' ' CZ ' ' B' ' 253' ' ' ARG . 42.0 t0 -46.67 115.94 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . 0.622 ' OG1' ' NH1' ' B' ' 253' ' ' ARG . 9.7 p -52.27 -12.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.669 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.622 ' NH1' ' OG1' ' B' ' 252' ' ' THR . 0.1 OUTLIER -74.95 -52.58 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.471 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . 0.709 HD23 HH22 ' B' ' 255' ' ' ARG . 5.8 tp -59.97 -37.61 80.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.574 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.709 HH22 HD23 ' B' ' 254' ' ' LEU . 0.0 OUTLIER -60.72 -45.94 92.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' B' ' 260' ' ' ALA . 0.0 OUTLIER -50.17 -41.09 48.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.585 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.425 ' OE2' ' CZ ' ' B' ' 279' ' ' PHE . 51.9 mt-10 -61.77 -45.07 95.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.58 HD22 HG11 ' B' ' 275' ' ' VAL . 0.4 OUTLIER -58.78 -64.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.557 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . 0.463 ' CE2' ' OD2' ' B' ' 263' ' ' ASP . 60.2 t80 -55.78 -36.66 67.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.597 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' B' ' 256' ' ' ARG . . . -62.08 -41.05 97.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.544 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -70.4 -42.59 71.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.592 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.55 -38.12 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . 0.463 ' OD2' ' CE2' ' B' ' 259' ' ' PHE . 89.9 m-20 -59.48 -17.35 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.66 -20.8 23.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 119.92 22.48 3.25 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.5 m -98.28 155.97 16.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.781 0.325 . . . . 0.0 110.551 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . 0.495 HG12 ' HG2' ' B' ' 269' ' ' GLU . 3.4 t -98.6 148.61 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.672 ' O ' HG22 ' B' ' 272' ' ' VAL . . . -52.56 -52.1 56.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.55 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.605 ' OE2' ' NH2' ' B' ' 211' ' ' ARG . 0.9 OUTLIER -38.12 -59.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . 0.41 ' O ' ' HB3' ' B' ' 273' ' ' LYS . 0.7 OUTLIER -80.93 -35.56 32.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -52.21 -52.63 51.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.723 ' O ' HG12 ' B' ' 276' ' ' ILE . 18.3 m -70.7 -14.91 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' B' ' 277' ' ' GLU . 62.9 tttp -78.86 -33.55 45.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . 0.404 ' O ' ' N ' ' B' ' 278' ' ' LYS . 1.5 m -77.05 -57.94 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.576 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.855 HG23 ' N ' ' B' ' 276' ' ' ILE . 10.7 m -45.24 -60.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.855 ' N ' HG23 ' B' ' 275' ' ' VAL . 2.1 pp -56.14 -41.04 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' B' ' 273' ' ' LYS . 42.1 tp10 -67.27 -38.91 85.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' B' ' 274' ' ' THR . 35.4 ttpt -72.42 -31.61 65.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.65 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . 0.425 ' CZ ' ' OE2' ' B' ' 257' ' ' GLU . 2.3 m-85 -78.69 -29.03 45.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.576 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' B' ' 284' ' ' ALA . . . -74.88 -23.25 58.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.643 ' O ' ' HB2' ' B' ' 285' ' ' ALA . 1.2 mp0 -85.64 -53.37 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.654 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . 0.4 ' O ' HD23 ' B' ' 286' ' ' LEU . 11.9 tm0? -59.96 -41.58 92.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.7 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' B' ' 283' ' ' PHE . 5.1 m-30 -71.25 -48.6 50.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.597 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 280' ' ' ALA . . . -78.29 7.6 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.684 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' B' ' 281' ' ' GLU . . . -97.47 -3.18 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.616 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.741 ' HG ' HD11 ' A' ' 53' ' ' LEU . 3.8 mm? -87.8 -168.74 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.616 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 55.4 m -116.26 -18.23 10.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.586 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 9.9 t0 -60.43 121.21 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -40.04 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -50.04 -41.2 47.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 1.08 HD13 ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.04 -53.61 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.476 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' B' ' 288' ' ' ASP . 19.1 ttmm -37.13 -54.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' B' ' 294' ' ' ARG . 0.3 OUTLIER -63.69 -38.49 91.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.427 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.55 ' N ' ' HG3' ' B' ' 293' ' ' GLU . 20.1 ttm180 -57.76 -31.19 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -42.1 -46.11 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -44.85 -39.94 6.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -67.19 -41.18 86.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.396 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.33 -53.74 53.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.226 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' B' ' 300' ' ' ALA . 0.0 OUTLIER -52.74 -36.78 58.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.148 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.473 ' N ' ' HG2' ' B' ' 299' ' ' ARG . . . -65.07 -37.51 87.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.264 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.806 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.1 OUTLIER -48.5 -41.62 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.266 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -63.53 -40.3 98.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -63.84 -40.66 97.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 110.218 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.402 ' HD3' HH21 ' B' ' 304' ' ' ARG . 6.9 mmm-85 -69.85 -41.07 75.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.204 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . 0.609 ' O ' HD12 ' B' ' 309' ' ' LEU . 1.0 OUTLIER -64.35 -39.53 94.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.28 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 306' ' ' LEU . 2.5 mm? -67.67 -39.84 84.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.4 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -69.36 -43.37 73.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.436 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -74.09 -21.2 60.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.404 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.609 HD12 ' O ' ' B' ' 305' ' ' LEU . 2.2 mt -72.78 -15.72 61.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.431 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.597 ' O ' ' OD1' ' B' ' 313' ' ' ASN . 51.7 m-20 -97.35 111.34 23.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.45 ' O ' ' ND2' ' B' ' 313' ' ' ASN . 94.2 m-20 -57.14 -15.39 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' B' ' 313' ' ' ASN . . . -75.58 -42.96 50.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.597 ' OD1' ' O ' ' B' ' 310' ' ' ASP . 0.3 OUTLIER 44.37 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . 0.405 ' NE2' ' C ' ' B' ' 313' ' ' ASN . 13.1 mp0 -139.59 103.06 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.619 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . -66.8 160.91 47.33 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.64 142.61 13.6 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.827 2.351 . . . . 0.0 112.064 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . 0.44 ' HB3' ' NE1' ' B' ' 319' ' ' TRP . 27.7 t-20 -115.53 163.86 15.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . -67.08 83.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.484 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.563 ' HB3' ' HD2' ' B' ' 320' ' ' PRO . 84.8 m95 -94.55 162.2 26.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 0.563 ' HD2' ' HB3' ' B' ' 319' ' ' TRP . 46.1 Cg_endo -72.08 152.74 57.06 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.789 2.326 . . . . 0.0 112.134 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.24 -2.47 21.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' B' ' 182' ' ' ILE . 36.6 mtm105 -157.76 124.89 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.688 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.401 ' HB3' ' HG2' ' B' ' 320' ' ' PRO . 11.4 p90 -155.65 159.04 39.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.501 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 47.8 mm -107.63 144.12 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.46 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.609 HD22 HD21 ' B' ' 335' ' ' LEU . 5.0 tp -83.54 110.78 18.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.711 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 3.3 t -110.12 97.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -136.66 150.45 48.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.537 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -70.49 -28.83 65.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -134.2 131.34 38.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.489 HD22 ' HB1' ' B' ' 357' ' ' ALA . 0.5 OUTLIER -83.55 126.68 33.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.474 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 1.8 t -136.28 121.69 19.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -58.33 -41.69 85.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' B' ' 336' ' ' ALA . 0.6 OUTLIER -56.61 -40.92 76.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.561 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 94.5 m -60.58 -45.7 92.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.609 HD21 HD22 ' B' ' 325' ' ' LEU . 92.9 mt -57.51 -29.28 64.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.522 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' B' ' 333' ' ' THR . . . -62.09 8.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.599 ' H ' ' C ' ' B' ' 335' ' ' LEU . 42.4 mm-40 -99.74 -39.64 8.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.683 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 14.9 mt -110.16 149.68 40.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.595 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -72.88 149.57 47.8 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.745 2.297 . . . . 0.0 112.098 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -69.49 -7.99 43.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.31 -37.3 63.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -89.13 -15.66 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 9.9 mt -84.65 100.55 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.491 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.39 33.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.711 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 146.42 158.27 7.69 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.723 HG23 HG23 ' B' ' 368' ' ' THR . 11.0 m -146.42 151.55 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . 0.417 HG13 HG12 ' B' ' 369' ' ' VAL . 95.3 t -140.74 137.23 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 8.8 p -137.12 152.79 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.636 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . 0.455 ' CG ' ' N ' ' B' ' 350' ' ' ASP . 2.7 ptm180 -98.56 -37.33 9.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.455 ' N ' ' CG ' ' B' ' 349' ' ' ARG . 33.5 t70 -134.48 77.71 1.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -126.97 137.38 9.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -71.72 148.18 46.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.814 0.34 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.58 -6.39 59.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -108.08 -13.77 14.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.595 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 10.8 p -46.13 146.03 1.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.517 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.5 -20.01 64.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . 0.489 ' HB1' HD22 ' B' ' 330' ' ' LEU . . . -85.18 -42.49 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -65.88 -39.82 91.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.522 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 14.0 tt -77.47 -22.0 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.621 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . 0.413 ' SD ' ' CG2' ' B' ' 238' ' ' THR . 9.0 ttt -77.3 -43.39 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.548 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.98 ' O ' HG22 ' B' ' 366' ' ' ILE . 17.3 m -65.79 -35.27 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.524 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' B' ' 176' ' ' ALA . 37.2 ttp180 -77.46 -33.07 54.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.655 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.583 ' HB3' ' OE1' ' B' ' 235' ' ' GLN . . . -67.62 -45.41 75.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.483 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . 0.96 HD21 ' HA ' ' B' ' 361' ' ' VAL . 2.9 pp -66.59 -29.19 69.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.672 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . 0.664 ' N ' HD12 ' B' ' 364' ' ' LEU . . . 97.71 72.07 1.07 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . 0.98 HG22 ' O ' ' B' ' 361' ' ' VAL . 2.4 tp -143.05 125.78 8.93 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.949 0.404 . . . . 0.0 110.532 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -47.85 116.77 2.06 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.777 2.318 . . . . 0.0 112.243 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . 0.723 HG23 HG23 ' B' ' 346' ' ' VAL . 43.2 m -128.94 141.1 51.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . 0.417 HG12 HG13 ' B' ' 347' ' ' VAL . 1.0 OUTLIER -136.45 139.88 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.537 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 1.091 ' SD ' ' HB2' ' B' ' 176' ' ' ALA . 0.0 OUTLIER -126.49 156.48 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 108.81 -10.11 34.7 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' B' ' 349' ' ' ARG . . . -55.17 108.46 0.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.81 0.338 . . . . 0.0 110.489 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 30.47 4.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' B' ' 374' ' ' ILE . 8.6 tp -105.83 133.01 51.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.651 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.759 ' O ' HG22 ' B' ' 378' ' ' VAL . 23.0 mp0 -64.15 130.62 94.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.593 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.57 -21.71 21.92 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.882 2.388 . . . . 0.0 112.205 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 40.0 t -56.95 -31.67 65.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.586 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . 0.759 HG22 ' O ' ' B' ' 375' ' ' GLN . 10.4 m -85.1 -28.63 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.848 ' O ' ' N ' ' B' ' 381' ' ' ARG . 1.4 mp -72.39 -22.36 61.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 1.013 ' CD2' ' H ' ' B' ' 381' ' ' ARG . 42.6 p-80 24.75 -76.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 1.013 ' H ' ' CD2' ' B' ' 380' ' ' HIS . 0.2 OUTLIER -149.7 28.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.613 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . 0.428 ' HG2' ' NE2' ' B' ' 380' ' ' HIS . 0.0 OUTLIER -70.77 169.1 15.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.558 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 91.8 m -78.29 132.07 37.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.625 HD12 ' O ' ' B' ' 394' ' ' LEU . 11.3 tp -136.47 115.62 12.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . 0.482 ' N ' HD12 ' B' ' 385' ' ' ILE . 1.7 mp -99.61 109.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.612 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 31.4 m -96.5 147.59 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.662 ' O ' ' N ' ' B' ' 391' ' ' GLY . 62.3 t0 -137.51 81.22 1.85 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -46.96 -47.18 19.86 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -46.48 53.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.533 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.96 -9.56 30.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 55.42 49.84 62.67 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' B' ' 393' ' ' LEU . 85.5 tt0 -132.16 158.41 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 110.639 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.848 ' O ' HD12 ' B' ' 393' ' ' LEU . 3.9 pp -136.14 121.87 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.525 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.642 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 3.3 mm? -95.78 154.58 17.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.629 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.806 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 14.6 p -120.66 105.63 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.599 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.61 ' OD1' ' O ' ' B' ' 395' ' ' VAL . 44.1 p-10 21.22 50.81 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.806 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 46.4 Cg_endo -72.16 -179.2 3.74 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.791 2.328 . . . . 0.0 112.092 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . 0.579 ' HG3' ' HB2' ' B' ' 401' ' ' LEU . 1.3 pm0 -56.75 139.26 77.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.529 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.34 -16.17 27.94 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.724 2.283 . . . . 0.0 112.153 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . . . . . . . . . 79.8 t -76.45 -64.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.579 ' HB2' ' HG3' ' B' ' 398' ' ' GLU . 0.7 OUTLIER -54.32 -51.99 62.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' B' ' 402' ' ' LEU . 0.1 OUTLIER -52.8 -29.93 30.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.634 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.72 -47.55 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.05 -38.75 72.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.597 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -50.55 -50.25 53.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.53 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -63.67 -33.82 76.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -75.32 -33.07 61.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.06 -52.71 17.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.443 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.71 -29.89 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.484 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 97.5 p -71.33 -28.34 64.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.598 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . 0.493 ' O ' ' C ' ' B' ' 412' ' ' GLU . 13.8 tt0 -125.75 -104.2 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.506 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 411' ' ' GLU . 30.3 tt0 33.08 -125.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.493 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 0.534 HG22 ' N ' ' B' ' 414' ' ' GLU . 7.3 mm -114.38 -106.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 0.534 ' N ' HG22 ' B' ' 413' ' ' ILE . 23.1 tt0 -145.53 -127.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.698 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 15.5 mt -113.76 6.25 16.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.609 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 10.8 t -75.99 -79.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' B' ' 418' ' ' LEU . 34.9 ttt180 -72.68 -64.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' B' ' 417' ' ' ARG . 0.4 OUTLIER 77.37 -166.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . 0.592 ' HB3' ' OE2' ' B' ' 420' ' ' GLU . . . -103.73 -40.38 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . 0.592 ' OE2' ' HB3' ' B' ' 419' ' ' ALA . 1.6 mp0 -82.56 44.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.534 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.63 -19.11 4.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.495 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.77 117.75 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 17.3 m -44.47 -26.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.644 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.562 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -83.01 159.33 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.486 ' O ' HD12 ' A' ' 76' ' ' LEU . 97.4 t -133.39 117.73 28.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HB2' ' OE1' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -124.81 172.51 9.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.604 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -161.72 132.7 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.548 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 6' ' ' THR . 12.5 t -78.43 129.31 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.665 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -130.5 123.36 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.595 ' O ' ' CD ' ' A' ' 8' ' ' GLU . 3.2 pp20? -80.26 127.28 32.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.49 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mm -90.23 105.67 16.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.573 ' O ' ' OG1' ' A' ' 10' ' ' THR . 0.1 OUTLIER -83.6 58.94 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.0 m120 61.28 23.89 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -164.79 101.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.556 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.9 pp -64.11 -7.87 10.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.76 -87.45 0.11 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -117.06 -50.24 2.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.734 0.302 . . . . 0.0 110.532 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.411 ' ND1' ' CZ ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER 174.68 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 1.012 ' HB3' HH11 ' A' ' 18' ' ' ARG . . . -169.51 -13.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.567 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 1.012 HH11 ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -57.12 -54.19 57.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.791 ' O ' HD13 ' A' ' 23' ' ' LEU . 51.0 Cg_exo -48.1 -51.5 9.9 Favored 'Trans proline' 0 C--N 1.303 -1.822 0 C-N-CA 122.733 2.288 . . . . 0.0 112.174 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.09 97.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -40.44 80.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.458 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.489 ' O ' HD13 ' A' ' 26' ' ' LEU . 45.1 mttp -63.73 -37.32 86.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.527 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.791 HD13 ' O ' ' A' ' 19' ' ' PRO . 4.9 mp -50.31 -43.91 53.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -38.67 75.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.38 -34.65 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.852 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 5.3 mp -68.23 -40.24 82.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.813 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 66.2 ttp -58.8 -28.86 66.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -86.6 -27.67 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.19 -24.5 36.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.852 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 1.5 p90 -119.66 138.25 53.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.752 0.311 . . . . 0.0 110.635 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.741 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 66.6 t0 -80.33 109.15 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.625 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.847 ' O ' ' HE1' ' A' ' 30' ' ' PHE . . . 156.99 148.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -98.21 128.32 44.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.742 ' C ' HD12 ' A' ' 35' ' ' LEU . 8.8 p -106.21 133.06 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.742 HD12 ' C ' ' A' ' 34' ' ' VAL . 7.0 mp -134.2 139.15 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.628 HD23 ' C ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -109.19 150.24 28.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.556 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.41 136.45 23.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.625 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.664 ' ND2' ' SD ' ' A' ' 54' ' ' MET . 20.2 m-80 -93.78 153.56 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.57 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 45.8 p-10 -50.65 -27.97 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 93.8 mt-10 -68.06 -11.72 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.625 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.3 11.06 58.87 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.9 p -84.12 117.44 23.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.658 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 3.0 tm-20 -78.18 103.39 8.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.647 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.32 65.66 7.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.626 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 2.8 mt-10 -41.18 120.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.9 -9.22 8.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.524 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -100.4 27.72 5.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.85 122.88 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.594 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.829 ' O ' HD12 ' A' ' 53' ' ' LEU . 6.6 p -62.86 -35.41 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 51' ' ' ALA . 20.6 pt -61.47 -37.83 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.621 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.647 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -64.8 -42.37 95.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.13 -39.05 77.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.829 HD12 ' O ' ' A' ' 49' ' ' VAL . 1.1 mp -65.03 -36.63 85.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.586 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.664 ' SD ' ' ND2' ' A' ' 38' ' ' ASN . 4.9 tmm? -68.29 -36.12 78.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.5 tt -63.41 -35.83 81.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.585 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD2' ' CG ' ' B' ' 291' ' ' LEU . 85.6 m-20 -53.15 -34.79 58.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -76.36 -6.37 51.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.46 29.28 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -69.4 97.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.57 5.25 39.61 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -105.95 165.15 11.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.316 . . . . 0.0 110.652 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -98.4 143.43 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.499 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 63' ' ' ILE . 8.1 pt -130.92 161.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.631 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -123.69 100.85 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.4 t -80.92 128.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -120.54 139.06 53.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.9 130.82 30.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.664 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 t -124.02 129.08 50.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.477 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.42 161.38 8.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -46.9 -45.39 20.83 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.908 2.405 . . . . 0.0 112.071 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 74' ' ' GLU . 50.5 mt-30 -93.97 6.95 46.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 14.5 pt-20 -37.87 -37.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -49.15 73.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.512 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 71' ' ' GLN . 15.8 tm-20 -56.94 -51.9 67.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.641 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.701 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.41 -49.27 72.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -64.79 -43.91 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.618 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.15 99.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.558 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.28 99.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.577 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 75' ' ' ALA . 47.0 t -67.02 -41.87 87.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.5 mm -65.17 -41.09 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.608 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.67 81.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.4 mt -73.58 -38.97 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.733 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.13 -22.92 61.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -90.51 -3.77 57.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.087 -0.958 . . . . 0.0 110.65 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 16.6 mm -102.04 131.6 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.73 109.45 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.505 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.607 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -109.45 160.68 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' B' ' 370' ' ' MET . 11.8 mt -79.2 115.59 53.95 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.25 110.51 2.97 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.817 2.345 . . . . 0.0 112.158 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -91.91 -25.57 18.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.29 103.21 3.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.52 155.12 1.44 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.779 2.319 . . . . 0.0 112.202 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 125.82 164.08 11.72 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 32.7 m -106.68 156.3 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' B' ' 386' ' ' VAL . . . -150.04 122.13 8.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.471 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 5.1 pt -122.14 117.49 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.473 ' HB3' HG23 ' B' ' 324' ' ' ILE . . . -179.41 179.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . 0.617 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 7.8 mp0 -85.91 169.11 13.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.59 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.589 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -94.43 144.93 17.44 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . 0.515 ' CH2' ' NH1' ' B' ' 381' ' ' ARG . 37.9 t-105 -134.96 118.25 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . 0.475 ' O ' ' NE2' ' B' ' 187' ' ' GLN . 0.0 OUTLIER -63.55 126.01 26.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.647 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.468 ' O ' ' OE1' ' B' ' 187' ' ' GLN . 17.2 t0 -53.57 116.18 2.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.633 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -60.52 -13.91 16.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . 0.42 ' OG1' ' OD1' ' B' ' 188' ' ' ASP . 0.0 OUTLIER -76.89 118.12 19.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.583 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . 0.827 ' HB2' ' HD2' ' B' ' 192' ' ' PRO . 0.0 OUTLIER -136.7 177.04 2.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.61 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.827 ' HD2' ' HB2' ' B' ' 191' ' ' LEU . 45.4 Cg_endo -71.94 130.02 16.14 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.741 2.294 . . . . 0.0 112.12 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.443 HD23 ' H ' ' B' ' 193' ' ' LEU . 0.4 OUTLIER -89.61 12.76 15.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.605 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 46.3 mtt -65.57 -38.37 89.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -98.48 -14.28 20.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.604 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -71.56 -36.44 70.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.631 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.411 HG13 ' O ' ' B' ' 193' ' ' LEU . 30.9 m -65.78 146.87 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -117.15 122.97 45.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.569 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . 0.711 HE21 ' H ' ' B' ' 199' ' ' GLN . 0.0 OUTLIER -85.16 130.9 34.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -150.04 142.13 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 30.4 m -84.59 80.82 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . 0.786 ' C ' HD13 ' B' ' 203' ' ' LEU . 3.7 m -158.78 108.72 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.615 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 1.055 HD13 ' N ' ' B' ' 203' ' ' LEU . 0.0 OUTLIER -91.62 147.3 23.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.733 ' O ' ' HB2' ' B' ' 208' ' ' GLU . 0.0 OUTLIER -158.16 93.42 2.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -70.5 -12.06 30.88 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.782 2.321 . . . . 0.0 112.13 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -98.41 -43.42 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.533 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' B' ' 211' ' ' ARG . 2.9 tp -85.9 -31.9 21.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.463 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.733 ' HB2' ' O ' ' B' ' 204' ' ' ASP . 81.9 mm-40 -73.07 -59.06 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 30.1 mtp-105 -53.38 -47.91 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.448 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -65.28 -40.56 94.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.447 HH12 ' CD ' ' B' ' 269' ' ' GLU . 8.9 mtp-105 -55.65 -41.24 73.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.471 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.824 HD13 ' C ' ' B' ' 212' ' ' LEU . 3.3 tm? -67.4 -52.62 37.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 96.0 m -52.42 -48.26 65.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -58.59 -36.44 85.38 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -70.21 -43.8 69.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.698 0.285 . . . . 0.0 110.54 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.989 HD23 ' N ' ' B' ' 217' ' ' GLU . 0.0 OUTLIER -57.92 -46.25 85.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.989 ' N ' HD23 ' B' ' 216' ' ' LEU . 13.8 tm-20 -61.26 -29.22 69.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.44 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -84.74 -28.2 26.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -90.4 -49.21 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.9 -47.25 80.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.678 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.496 ' ND2' ' HG2' ' B' ' 217' ' ' GLU . 88.8 m-20 -68.56 -30.15 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.515 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.689 ' O ' ' CD1' ' B' ' 226' ' ' TYR . 3.7 tm-20 -74.86 -35.64 62.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.497 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -81.55 -47.07 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . 0.411 HH21 ' HD2' ' B' ' 224' ' ' ARG . 30.7 ttm105 -59.99 -48.63 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -68.16 -38.84 82.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.689 ' CD1' ' O ' ' B' ' 222' ' ' GLU . 2.7 m-85 -58.31 -54.08 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.488 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . 0.484 ' OG ' ' HB2' ' B' ' 242' ' ' PHE . 45.5 m -56.52 -54.73 42.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.479 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -43.84 6.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.432 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -47.04 88.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.683 ' O ' ' N ' ' B' ' 234' ' ' ALA . 25.6 m-85 -60.4 -42.36 95.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -49.48 -38.32 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.78 -23.04 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.561 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -115.33 -58.25 0.35 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.683 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -66.17 -147.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.597 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.605 HE21 ' CD ' ' B' ' 237' ' ' GLU . 1.1 pm0 -125.16 -165.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.513 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' B' ' 240' ' ' ALA . 0.5 OUTLIER -59.55 -33.58 71.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.605 ' CD ' HE21 ' B' ' 235' ' ' GLN . 8.4 pt-20 -41.04 -46.77 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.663 ' O ' ' CG1' ' B' ' 241' ' ' ILE . 12.9 p -70.23 -48.64 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -65.04 -27.85 69.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 236' ' ' LYS . . . -67.68 -48.21 67.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.541 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.919 ' O ' ' HG ' ' B' ' 244' ' ' LEU . 6.5 pt -59.97 -60.29 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.756 ' H ' HG13 ' B' ' 241' ' ' ILE . 0.0 OUTLIER -46.17 -58.43 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.587 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.619 ' N ' ' CG ' ' B' ' 242' ' ' PHE . 64.9 t0 -33.01 -55.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 1.03 HD12 ' N ' ' B' ' 245' ' ' TYR . 4.2 pp -79.34 -46.77 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 1.03 ' N ' HD12 ' B' ' 244' ' ' LEU . 0.1 OUTLIER -45.92 -56.78 5.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 2.0 p -55.6 -49.56 72.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.49 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.52 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 17.1 m-70 -67.84 -23.77 65.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.938 HD23 ' N ' ' B' ' 249' ' ' LEU . 0.4 OUTLIER -71.46 -50.49 31.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.534 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.938 ' N ' HD23 ' B' ' 248' ' ' LEU . 3.2 tm? -80.62 -40.81 25.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . 0.488 ' HG ' ' HA ' ' B' ' 247' ' ' HIS . 60.7 p -63.53 -23.27 67.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.941 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 12.6 p30 -49.49 131.42 20.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 71.4 p -68.82 3.17 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -75.37 -44.2 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . 0.41 ' HB3' HH11 ' B' ' 255' ' ' ARG . 1.0 OUTLIER -73.05 -50.58 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.551 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.907 ' HE ' ' N ' ' B' ' 255' ' ' ARG . 0.5 OUTLIER -48.05 -53.06 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -60.33 -44.03 95.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.674 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 19.9 mm-40 -54.1 -50.82 65.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.4 -59.25 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' B' ' 259' ' ' PHE . 2.0 m-85 -52.43 -33.88 46.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.68 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -58.7 -41.43 86.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.66 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.11 -41.59 85.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . 0.496 HG22 ' O ' ' B' ' 266' ' ' SER . 87.2 t -67.18 -33.28 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.519 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.65 -20.62 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.521 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -94.71 -18.96 20.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . 0.725 ' O ' HD12 ' B' ' 203' ' ' LEU . . . 123.76 19.51 2.75 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . 0.496 ' O ' HG22 ' B' ' 262' ' ' VAL . 75.1 m -90.94 155.57 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.478 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 202' ' ' THR . 57.8 t -97.86 146.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.624 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.489 ' CB ' ' OE1' ' B' ' 208' ' ' GLU . . . -50.98 -46.27 61.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.456 ' H ' HG12 ' B' ' 267' ' ' VAL . 1.4 mp0 -43.6 -58.74 2.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -40.59 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.492 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.452 ' O ' HG12 ' B' ' 275' ' ' VAL . . . -54.94 -44.35 74.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.476 ' O ' HG12 ' B' ' 276' ' ' ILE . 94.3 t -64.03 -35.1 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.537 ' HA ' HD11 ' B' ' 276' ' ' ILE . 73.3 tttt -80.7 -38.47 28.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 69.0 m -68.8 -53.45 21.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.656 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.793 HG13 ' N ' ' B' ' 276' ' ' ILE . 11.5 p -48.93 -56.99 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.793 ' N ' HG13 ' B' ' 275' ' ' VAL . 28.3 pt -57.49 -39.8 71.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.505 ' O ' ' OE1' ' B' ' 281' ' ' GLU . 55.1 mm-40 -68.22 -36.32 79.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -70.13 -35.27 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . 0.843 ' O ' ' CD2' ' B' ' 283' ' ' PHE . 14.6 m-85 -83.37 -23.44 32.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . 0.82 ' O ' ' CB ' ' B' ' 284' ' ' ALA . . . -62.3 -47.35 84.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' B' ' 277' ' ' GLU . 14.9 mp0 -83.94 -21.5 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . 0.542 ' OE1' ' CD2' ' B' ' 279' ' ' PHE . 51.6 tt0 -58.04 -60.83 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.843 ' CD2' ' O ' ' B' ' 279' ' ' PHE . 30.0 p90 -86.15 -32.45 21.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . 0.82 ' CB ' ' O ' ' B' ' 280' ' ' ALA . . . -57.38 -14.8 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.74 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.12 177.6 8.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 83.8 p -102.58 -20.14 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.785 ' O ' ' CB ' ' B' ' 292' ' ' LYS . 44.7 p-10 -52.15 96.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.514 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -70.89 -46.8 61.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.572 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . 0.411 ' CZ ' ' ND1' ' A' ' 16' ' ' HIS . 30.6 t80 -54.03 -21.99 9.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.554 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.527 HD12 ' HG ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -118.22 -48.02 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.785 ' CB ' ' O ' ' B' ' 288' ' ' ASP . 39.5 tttt -40.14 -39.89 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.463 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' B' ' 295' ' ' ALA . 8.6 mt-10 -53.25 -20.88 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.694 HH22 HD13 ' B' ' 244' ' ' LEU . 34.4 ttm-85 -38.67 -30.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' B' ' 293' ' ' GLU . . . -39.39 -53.81 1.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.443 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -50.74 -44.29 48.01 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.5 ' O ' ' OH ' ' B' ' 245' ' ' TYR . 3.2 m-20 -71.36 -44.89 64.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.48 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -54.93 40.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.331 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . 0.4 HH21 ' HD3' ' B' ' 299' ' ' ARG . 25.9 ttp-105 -53.74 -40.7 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.401 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.752 ' HB1' HG21 ' B' ' 333' ' ' THR . . . -61.58 -37.96 85.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.898 ' O ' HD12 ' B' ' 301' ' ' LEU . 0.1 OUTLIER -56.27 -41.7 76.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.407 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . 0.622 ' N ' ' HG ' ' B' ' 301' ' ' LEU . . . -59.89 -42.67 98.29 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . 0.424 HE21 ' N ' ' B' ' 304' ' ' ARG . 0.0 OUTLIER -59.43 -39.72 84.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.377 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.588 ' NH2' ' OE1' ' B' ' 337' ' ' GLU . 0.0 OUTLIER -66.04 -41.7 90.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.375 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . 0.604 HD23 HD12 ' B' ' 301' ' ' LEU . 3.6 mm? -69.17 -39.95 78.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.366 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . 0.582 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.1 OUTLIER -65.52 -40.69 93.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -69.48 -40.18 77.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.454 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' B' ' 304' ' ' ARG . 74.7 m-70 -73.51 -22.05 60.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.404 HD12 ' O ' ' B' ' 305' ' ' LEU . 3.9 mt -75.28 -13.5 60.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.582 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 5.1 m-20 -123.02 108.35 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -49.64 -21.22 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.63 ' O ' ' N ' ' B' ' 314' ' ' GLN . . . -75.11 -11.38 60.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.663 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.479 ' O ' ' HB2' ' B' ' 314' ' ' GLN . 70.1 m-80 62.84 -43.67 0.19 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.582 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . 0.63 ' N ' ' O ' ' B' ' 312' ' ' ALA . 14.6 mt-30 75.88 102.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.526 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . 0.567 ' O ' ' O ' ' B' ' 316' ' ' PRO . . . 90.33 63.31 1.24 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 315' ' ' GLY . 52.7 Cg_exo -47.56 -163.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.903 2.402 . . . . 0.0 112.073 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' B' ' 316' ' ' PRO . 0.7 OUTLIER 37.1 51.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.614 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . 0.587 ' O ' HD11 ' B' ' 338' ' ' LEU . . . -80.7 -21.89 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -108.93 102.16 47.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -72.32 175.43 10.01 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.777 2.318 . . . . 0.0 112.082 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -100.58 -59.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.812 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 7.4 ptm180 -142.21 100.31 3.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.638 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.812 ' CD1' ' O ' ' B' ' 322' ' ' ARG . 83.6 m-85 -163.57 167.33 21.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.537 ' CD1' HG13 ' B' ' 326' ' ' VAL . 1.6 pp -102.07 156.97 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.475 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.571 ' HB3' HG13 ' B' ' 346' ' ' VAL . 4.6 tp -91.39 123.09 34.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.621 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.537 HG13 ' CD1' ' B' ' 324' ' ' ILE . 0.0 OUTLIER -122.78 90.92 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -122.2 155.24 36.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 41.8 p30 -73.2 -17.45 61.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.441 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 19.1 tp10 -149.98 133.05 16.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.533 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 4.4 mt -86.7 118.8 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 32.6 p -116.43 131.0 57.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.523 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.04 -38.79 62.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.558 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.752 HG21 ' HB1' ' B' ' 300' ' ' ALA . 90.9 m -58.2 -43.34 87.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 91.1 m -59.0 -52.43 65.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.722 ' C ' HD23 ' B' ' 335' ' ' LEU . 9.0 tt -49.65 -46.8 50.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -74.11 6.79 3.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.588 ' OE1' ' NH2' ' B' ' 304' ' ' ARG . 1.2 tt0 -104.17 -40.16 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.59 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.587 HD11 ' O ' ' B' ' 318' ' ' ALA . 1.8 tp -106.0 118.42 55.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.69 136.42 21.55 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.851 2.367 . . . . 0.0 112.004 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.86 -31.85 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.635 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -46.47 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.428 ' N ' ' HD3' ' B' ' 342' ' ' ARG . 18.8 mmt180 -75.73 -18.17 59.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.415 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.814 HD11 ' O ' ' B' ' 345' ' ' GLY . 50.5 tp -90.87 106.04 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.475 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 11.3 m -109.46 14.68 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.633 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . 0.814 ' O ' HD11 ' B' ' 343' ' ' LEU . . . 176.98 155.48 13.68 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.571 HG13 ' HB3' ' B' ' 325' ' ' LEU . 1.3 t -143.65 137.39 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.583 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.56 126.77 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 9.8 p -125.88 149.5 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . 0.49 HH11 ' C ' ' B' ' 373' ' ' ASP . 57.1 mtp180 -88.18 -39.63 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.488 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.43 80.8 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.587 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . -123.96 130.87 7.78 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . 0.591 ' HB3' ' OG ' ' B' ' 355' ' ' SER . . . -95.63 140.67 30.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.541 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.75 -27.5 65.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.555 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.63 -3.3 49.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . 0.591 ' OG ' ' HB3' ' B' ' 352' ' ' ALA . 58.9 m -73.55 143.33 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -60.35 -39.35 86.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.475 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.12 90.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.48 94.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.661 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.13 -38.84 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.625 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 55.5 mtt -64.22 -48.55 75.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.59 -43.86 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . . . . . . . . . 12.7 ttp-105 -62.59 -46.18 89.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.63 -30.62 71.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.56 -32.38 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.22 32.62 9.47 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 4.6 mm -104.96 121.27 47.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.657 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.31 120.9 4.77 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.845 2.364 . . . . 0.0 112.147 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 84.9 m -149.42 148.53 29.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.6 151.34 26.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.607 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 0.6 OUTLIER -124.8 160.32 28.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.62 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.71 -0.74 58.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -54.42 110.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . 0.49 ' C ' HH11 ' B' ' 349' ' ' ARG . 60.2 m-20 -99.95 56.61 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.685 HD13 ' O ' ' B' ' 374' ' ' ILE . 0.1 OUTLIER -133.49 155.61 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -95.26 105.29 18.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . 0.54 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 51.8 Cg_exo -47.99 -28.09 9.84 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.822 2.348 . . . . 0.0 112.173 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 47.7 t -55.45 -49.09 73.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.624 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.7 -35.08 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.553 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.63 ' O ' ' N ' ' B' ' 381' ' ' ARG . 16.1 mt -83.8 -46.8 11.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.589 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.2 OUTLIER 52.18 -78.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.63 ' N ' ' O ' ' B' ' 379' ' ' LEU . 1.4 mpt_? -132.51 25.03 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -71.69 175.7 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.621 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 37.9 m -83.74 129.76 34.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.602 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.404 HD21 HD13 ' B' ' 379' ' ' LEU . 3.3 mp -122.26 145.71 47.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.632 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 82.9 mt -130.69 100.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.556 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' B' ' 181' ' ' ALA . 49.2 t -93.46 147.95 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' B' ' 391' ' ' GLY . 63.8 t0 -140.36 82.81 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -48.59 -45.88 30.1 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -47.67 -43.23 26.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.615 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' B' ' 391' ' ' GLY . 11.5 mmp_? -108.9 6.65 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.638 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 35.93 61.31 0.78 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . 0.515 ' HG2' ' N ' ' B' ' 393' ' ' LEU . 34.3 tt0 -135.01 160.77 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.53 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.549 HD23 ' C ' ' B' ' 393' ' ' LEU . 3.8 tt -127.74 109.64 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.462 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 18.4 mt -95.49 161.18 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.781 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 94.0 t -126.86 102.05 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.511 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.624 ' C ' ' O ' ' B' ' 395' ' ' VAL . 0.4 OUTLIER 18.84 52.4 0.1 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.594 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.781 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 40.6 Cg_endo -70.61 -177.04 1.95 Allowed 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.817 2.345 . . . . 0.0 112.109 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . 0.513 ' HB2' HG12 ' B' ' 400' ' ' VAL . 1.8 pm0 -57.93 139.21 82.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -72.77 -14.2 26.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.732 2.288 . . . . 0.0 112.136 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . 0.552 HG13 ' N ' ' B' ' 401' ' ' LEU . 8.4 p -77.56 -43.26 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.632 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.552 ' N ' HG13 ' B' ' 400' ' ' VAL . 0.1 OUTLIER -60.76 -53.11 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.611 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.51 -27.75 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.568 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -60.65 -58.08 9.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.517 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . 0.667 ' O ' ' N ' ' B' ' 407' ' ' ARG . 14.4 tt0 -72.09 -48.48 43.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.539 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' B' ' 404' ' ' GLU . 18.2 t80 -33.94 -45.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.609 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -66.89 -34.52 77.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.499 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.667 ' N ' ' O ' ' B' ' 404' ' ' GLU . 9.7 ttp180 -73.37 -35.55 65.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.545 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 408' ' ' LEU . 44.7 mt -73.1 -49.45 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.531 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -31.17 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.597 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 86.7 p -88.24 -22.15 24.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -113.24 27.92 9.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.561 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' B' ' 414' ' ' GLU . 14.2 tp10 -152.19 -110.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 0.615 ' O ' ' C ' ' B' ' 414' ' ' GLU . 14.2 pt -67.8 50.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.546 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 0.615 ' C ' ' O ' ' B' ' 413' ' ' ILE . 43.9 tp10 -18.11 -90.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.32 -82.06 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.546 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.8 p -104.01 31.15 4.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . 0.655 ' O ' ' N ' ' B' ' 419' ' ' ALA . 0.4 OUTLIER -76.69 -64.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.647 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' B' ' 419' ' ' ALA . 0.7 OUTLIER 54.04 -74.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . 0.655 ' N ' ' O ' ' B' ' 417' ' ' ARG . . . 77.64 24.93 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 60.69 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' B' ' 419' ' ' ALA . 23.3 t0 52.93 98.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.486 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.652 ' O ' ' C ' ' B' ' 423' ' ' VAL . 34.4 p30 -169.54 143.87 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.574 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . 0.652 ' C ' ' O ' ' B' ' 422' ' ' ASP . 2.7 t 14.59 71.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.592 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.405 ' SD ' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.405 HG22 ' SD ' ' A' ' 1' ' ' MET . 5.0 t -84.15 158.87 21.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.492 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER -132.63 119.6 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.497 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -126.28 172.79 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.658 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -162.47 133.73 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 p -80.17 129.06 34.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.48 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 m -129.85 123.6 57.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 58.1 mp0 -79.62 127.01 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.635 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.476 HD12 HD23 ' A' ' 13' ' ' LEU . 19.2 mm -89.95 104.83 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.73 HG22 ' O ' ' A' ' 10' ' ' THR . 61.0 m -81.31 55.52 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.507 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.667 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.2 t30 61.99 25.82 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.504 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' A' ' 14' ' ' GLY . 12.8 tptt -164.4 94.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.582 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.476 HD23 HD12 ' A' ' 9' ' ' ILE . 15.9 mt -59.84 -0.08 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.432 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 1.045 ' O ' ' CG ' ' A' ' 19' ' ' PRO . . . 73.77 27.49 66.93 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 1.362 ' HA ' ' CD ' ' A' ' 19' ' ' PRO . 1.7 ptp -133.35 -86.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.699 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.776 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 2.8 t60 67.92 5.25 4.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.475 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 140.84 39.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.523 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.774 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 3.6 mtp180 -160.01 -68.74 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.679 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.362 ' CD ' ' HA ' ' A' ' 15' ' ' MET . 50.2 Cg_exo -48.88 -62.32 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.945 2.43 . . . . 0.0 112.182 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.224 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -53.17 -44.69 68.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.602 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.7 tpt -69.03 -42.27 76.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 12.4 tptt -60.65 -39.24 87.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.599 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 23' ' ' LEU . 5.9 tt -48.33 -46.66 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -55.79 -40.92 73.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.5 -36.12 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.708 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.88 -42.18 85.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.506 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 49.4 ttm -55.73 -31.45 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -82.55 -34.2 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.68 -32.26 42.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -104.52 155.09 19.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 0.0 110.581 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.819 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -99.13 93.61 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.686 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 168.51 156.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.21 129.58 46.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.1 t -107.22 133.6 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 36' ' ' LEU . 72.5 mt -135.34 138.17 43.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.565 HD12 ' C ' ' A' ' 35' ' ' LEU . 11.1 mp -108.47 150.66 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -146.73 135.48 22.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.622 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -92.48 154.1 18.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -51.66 -26.55 9.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.63 -10.0 56.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.617 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.69 12.01 59.9 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.1 m -85.33 116.77 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.489 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 2.2 pm0 -77.98 103.49 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.637 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.6 65.41 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.546 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -40.55 121.14 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.563 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.69 -10.51 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.616 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.8 28.76 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.539 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -146.51 122.88 10.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 50' ' ' ILE . 4.8 m -62.93 -36.59 76.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.79 HD12 ' CE1' ' B' ' 283' ' ' PHE . 3.5 tt -61.23 -36.45 72.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.637 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.86 -42.96 89.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.224 HD21 ' CB ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -58.51 -38.1 76.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.116 ' O ' HD21 ' B' ' 291' ' ' LEU . 7.3 mp -64.84 -36.64 84.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.658 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 46.3 mtt -67.62 -38.75 84.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 92.8 mt -61.46 -35.47 77.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 5.4 m-20 -52.64 -34.35 50.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.56 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.0 p -77.85 -6.25 53.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -83.02 28.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.54 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 56' ' ' ASP . 4.5 mmtp -68.96 97.35 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.513 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.48 5.36 39.74 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.26 164.64 11.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.607 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -97.56 144.21 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.643 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.549 HG13 ' N ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -131.89 161.11 41.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.538 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.549 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.9 mt-10 -123.12 102.11 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 63' ' ' ILE . 4.2 t -82.02 127.5 39.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -119.65 141.06 49.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.52 129.52 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.677 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.737 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 9.9 t -120.31 141.47 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.577 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.04 -177.37 18.97 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.819 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 49.0 Cg_endo -72.4 -36.93 4.76 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.807 2.338 . . . . 0.0 112.155 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.513 ' NE2' ' HG3' ' A' ' 74' ' ' GLU . 23.5 mm100 -97.85 3.01 49.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.58 ' CD ' ' N ' ' A' ' 73' ' ' GLU . 1.5 pp20? -35.34 -42.72 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.599 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.58 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 16.1 tm-20 -58.45 -49.98 75.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.513 ' HG3' ' NE2' ' A' ' 71' ' ' GLN . 69.9 mm-40 -58.14 -50.93 71.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.532 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.79 -49.29 75.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.7 -44.07 91.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.44 99.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.98 98.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.3 t -66.32 -42.72 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.4 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 65.4 mt -64.59 -41.4 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.437 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.21 83.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.477 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.11 -37.51 66.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.65 -33.06 72.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.48 HD22 ' N ' ' A' ' 84' ' ' ASN . 1.4 m-80 -81.47 -5.21 57.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.65 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 18.4 ttp85 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 49.2 mt -114.36 134.75 56.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.15 109.6 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 1.047 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -114.08 153.47 29.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.584 ' N ' ' O ' ' B' ' 370' ' ' MET . 80.1 mt -66.37 112.63 9.75 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -72.76 110.74 3.08 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.9 2.4 . . . . 0.0 112.16 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . 0.524 ' O ' ' HD3' ' B' ' 362' ' ' ARG . . . -83.24 -38.48 22.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.428 ' O ' ' HA3' ' B' ' 388' ' ' GLY . . . -133.45 131.83 21.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.14 144.4 42.03 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.779 2.32 . . . . 0.0 112.167 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 135.93 164.55 10.33 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.9 p -126.09 145.92 32.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 110.477 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . 0.485 ' HB1' HH11 ' B' ' 322' ' ' ARG . . . -152.32 150.74 30.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 2.1 pt -130.04 134.85 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.471 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 178.67 177.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . 0.477 ' OE1' ' O ' ' B' ' 381' ' ' ARG . 65.5 mm-40 -78.8 158.69 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -95.01 144.28 17.1 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -146.47 108.83 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.542 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.91 142.08 58.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.538 ' HB2' ' HB2' ' B' ' 327' ' ' ALA . 50.0 t0 -58.23 118.65 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.486 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' B' ' 190' ' ' THR . . . -63.49 -15.11 56.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.682 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . 0.535 ' C ' ' O ' ' B' ' 189' ' ' ALA . 0.9 OUTLIER -29.0 100.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.518 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . 0.657 HD23 ' O ' ' B' ' 192' ' ' PRO . 6.9 tt -146.21 115.53 4.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.545 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.657 ' O ' HD23 ' B' ' 191' ' ' LEU . 52.1 Cg_exo -47.81 148.81 5.85 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.851 2.367 . . . . 0.0 112.021 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.972 HD22 ' N ' ' B' ' 193' ' ' LEU . 0.8 OUTLIER -98.55 6.85 46.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -48.12 -36.29 13.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -83.79 -38.46 21.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -61.38 -23.14 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 193' ' ' LEU . 89.7 t -73.03 133.46 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.494 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.7 156.24 20.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.548 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.37 107.03 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -126.75 139.28 53.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.556 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 31.4 m -137.22 81.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.603 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 6.6 m -151.25 116.64 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 0.669 HD23 ' O ' ' B' ' 203' ' ' LEU . 0.5 OUTLIER -80.12 126.91 31.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.587 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -148.96 78.45 8.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.015 0.436 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -46.93 -17.55 0.42 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.917 2.411 . . . . 0.0 112.076 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -82.9 -55.63 4.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . . . . . . . . . 4.9 mt -76.66 -38.66 54.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -63.66 -56.97 11.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . 0.522 ' O ' ' HG ' ' B' ' 212' ' ' LEU . 46.8 ttp180 -55.63 -41.75 73.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.482 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -72.4 -36.92 68.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.401 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.512 HH12 ' CD ' ' B' ' 269' ' ' GLU . 0.0 OUTLIER -52.4 -53.73 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.363 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.695 ' HG ' ' H ' ' B' ' 213' ' ' THR . 2.3 pp -66.18 -45.65 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.383 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . 0.695 ' H ' ' HG ' ' B' ' 212' ' ' LEU . 57.1 m -58.93 -52.06 67.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.19 -35.52 88.1 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . . . . . . . . . . . -72.28 -41.28 66.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.403 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.667 ' O ' ' N ' ' B' ' 220' ' ' ALA . 4.4 tp -56.4 -52.07 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.448 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.536 ' O ' ' ND2' ' B' ' 221' ' ' ASN . 2.6 mm-40 -50.48 -34.05 23.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.362 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -81.58 -36.33 29.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.358 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . 0.495 ' HB2' ' ND1' ' B' ' 308' ' ' HIS . . . -83.49 -50.7 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -55.76 -46.59 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 217' ' ' GLU . 94.4 m-20 -62.79 -31.64 72.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.355 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.49 ' OE2' ' NH1' ' B' ' 304' ' ' ARG . 3.6 tt0 -66.26 -42.04 89.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.444 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -66.19 -44.2 84.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.441 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -62.97 -42.58 99.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . 0.417 ' C ' ' NH2' ' B' ' 229' ' ' ARG . 73.4 mtm-85 -70.25 -33.49 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' B' ' 222' ' ' GLU . 2.0 m-85 -59.49 -59.2 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.73 -45.2 39.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.513 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -62.51 -38.94 91.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.432 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . 0.417 ' NH2' ' C ' ' B' ' 225' ' ' ARG . 0.0 OUTLIER -73.1 -42.65 62.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.713 ' O ' ' HB3' ' B' ' 234' ' ' ALA . 6.1 m-85 -66.94 -45.09 78.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.47 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.36 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.04 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -169.49 51.32 0.21 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' B' ' 230' ' ' PHE . . . -144.54 174.41 10.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 0.0 110.575 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.415 ' HG2' ' H ' ' B' ' 237' ' ' GLU . 61.3 tt0 -63.18 151.53 40.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -67.27 -41.77 84.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.509 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.415 ' H ' ' HG2' ' B' ' 235' ' ' GLN . 2.3 tt0 -51.59 -50.57 59.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.477 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -54.27 -52.7 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -52.91 -42.89 65.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -67.25 -27.06 66.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.598 HG22 ' N ' ' B' ' 242' ' ' PHE . 0.9 OUTLIER -65.4 -53.14 43.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.598 ' N ' HG22 ' B' ' 241' ' ' ILE . 56.0 m-85 -61.59 -57.63 11.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -44.56 -48.12 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.469 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 0.58 HD23 HH11 ' B' ' 294' ' ' ARG . 17.3 tp -65.98 -37.78 86.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -71.0 -40.62 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.608 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 3.7 p -44.34 -45.84 9.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.545 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.53 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 7.4 t-80 -73.61 -27.44 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.685 HD23 ' C ' ' B' ' 248' ' ' LEU . 8.9 tt -67.45 -48.23 67.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.616 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.728 ' HG ' HD11 ' B' ' 301' ' ' LEU . 0.4 OUTLIER -70.4 -41.9 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.635 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 55.6 p -76.53 -12.72 60.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.613 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.871 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 19.9 p-10 -52.67 123.51 11.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' B' ' 256' ' ' ARG . 69.4 p -56.7 -1.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.564 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.705 ' HE ' ' N ' ' B' ' 254' ' ' LEU . 0.5 OUTLIER -80.64 -55.8 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.525 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . 0.763 HD23 ' O ' ' B' ' 254' ' ' LEU . 3.7 tt -65.42 -41.84 93.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' B' ' 258' ' ' LEU . 76.7 mtp180 -60.68 -44.91 95.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' B' ' 252' ' ' THR . 5.9 tmm_? -67.62 -39.69 84.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.591 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.26 -54.35 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.603 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.789 ' C ' HD12 ' B' ' 258' ' ' LEU . 0.6 OUTLIER -64.64 -42.05 95.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.606 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . 0.657 ' N ' ' HG ' ' B' ' 258' ' ' LEU . 39.4 t80 -62.94 -37.42 86.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.96 89.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . 0.441 ' C ' ' OG ' ' B' ' 266' ' ' SER . 1.6 mp0 -64.01 -39.51 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.635 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . . . . . . . . . 69.3 t -67.0 -40.68 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.638 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -11.6 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -94.33 -19.5 20.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 126.09 11.3 3.92 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . 0.441 ' OG ' ' C ' ' B' ' 261' ' ' GLU . 51.8 p -93.01 162.91 13.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.362 . . . . 0.0 110.617 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.44 149.64 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.632 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.491 ' O ' HG23 ' B' ' 272' ' ' VAL . . . -56.71 -40.93 76.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.512 ' CD ' HH12 ' B' ' 211' ' ' ARG . 0.4 OUTLIER -49.25 -57.67 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -76.42 -44.39 36.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.947 ' O ' HG22 ' B' ' 275' ' ' VAL . . . -53.1 -44.41 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.82 ' O ' HG23 ' B' ' 276' ' ' ILE . 70.4 t -68.52 -27.45 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.84 -29.98 24.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 85.4 m -77.39 -48.41 17.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.947 HG22 ' O ' ' B' ' 271' ' ' ALA . 31.4 m -65.11 -48.74 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.82 HG23 ' O ' ' B' ' 272' ' ' VAL . 2.3 pp -63.83 -21.77 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.565 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -94.53 -34.27 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.622 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' B' ' 282' ' ' GLN . 0.3 OUTLIER -72.65 -46.7 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' B' ' 280' ' ' ALA . 0.1 OUTLIER -74.73 -19.3 60.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' B' ' 276' ' ' ILE . . . -72.46 -38.09 68.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -87.07 -28.62 22.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.654 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' B' ' 278' ' ' LYS . 1.3 mm100 -58.29 -48.07 81.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.539 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.79 ' CE1' HD12 ' A' ' 50' ' ' ILE . 2.5 m-30 -66.74 -34.25 77.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 286' ' ' LEU . . . -60.61 -37.1 80.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -39.32 -24.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.615 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' B' ' 284' ' ' ALA . 4.1 mm? -60.78 163.8 5.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . 0.451 ' O ' ' C ' ' B' ' 288' ' ' ASP . 15.4 m -100.33 -44.58 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.933 ' HB2' HD22 ' B' ' 291' ' ' LEU . 0.7 OUTLIER -35.69 134.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.676 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.26 -45.61 93.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.527 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . 0.501 ' O ' ' HG2' ' B' ' 293' ' ' GLU . 61.2 t80 -56.95 -27.67 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 1.116 HD21 ' O ' ' A' ' 53' ' ' LEU . 2.3 mp -81.31 -63.35 1.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.492 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -42.28 -42.3 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.466 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 290' ' ' TYR . 20.6 pt-20 -70.46 -36.0 73.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.379 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.58 HH11 HD23 ' B' ' 244' ' ' LEU . 1.9 tpt180 -57.65 -37.34 73.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.09 63.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.348 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -51.64 -44.94 54.66 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.92 -39.44 94.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.387 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.37 -47.95 83.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.338 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -50.64 -42.61 56.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.314 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.677 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -65.05 -36.01 82.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.294 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.728 HD11 ' HG ' ' B' ' 249' ' ' LEU . 9.8 tt -53.15 -44.87 68.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.429 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -63.17 -38.53 96.66 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -44.27 90.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.346 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.49 ' NH1' ' OE2' ' B' ' 222' ' ' GLU . 12.0 mtp85 -65.63 -39.16 91.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.383 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . 0.495 HD23 HG13 ' B' ' 272' ' ' VAL . 13.5 tp -68.13 -40.16 82.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.409 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.72 -38.49 91.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.43 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -44.38 93.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.405 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.495 ' ND1' ' HB2' ' B' ' 219' ' ' ALA . 28.1 m170 -69.69 -23.8 63.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' B' ' 309' ' ' LEU . 2.1 tp -60.88 -14.17 20.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.455 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.26 117.41 26.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -52.75 -15.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.644 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.68 ' O ' ' C ' ' B' ' 313' ' ' ASN . . . -59.32 -29.65 67.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.533 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.68 ' C ' ' O ' ' B' ' 312' ' ' ALA . 69.1 m-20 6.1 -88.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.541 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . 0.859 HE21 ' H ' ' B' ' 315' ' ' GLY . 0.0 OUTLIER 64.46 -99.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.638 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . 0.859 ' H ' HE21 ' B' ' 314' ' ' GLN . . . 117.76 95.22 1.77 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -72.56 -10.72 25.62 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.775 2.317 . . . . 0.0 112.155 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -73.72 79.88 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . 0.651 ' O ' ' HD3' ' B' ' 320' ' ' PRO . . . -71.44 116.57 11.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.467 ' C ' ' O ' ' B' ' 318' ' ' ALA . 0.0 OUTLIER -33.43 90.59 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.59 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 0.651 ' HD3' ' O ' ' B' ' 318' ' ' ALA . 49.2 Cg_endo -72.68 179.18 5.45 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.901 2.401 . . . . 0.0 112.042 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.19 -54.89 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.485 HH11 ' HB1' ' B' ' 181' ' ' ALA . 21.9 ttt180 -161.95 146.91 12.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.607 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 3.6 m-85 -159.32 162.68 36.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.471 HG13 ' HB3' ' B' ' 183' ' ' ALA . 87.1 mt -116.54 145.48 22.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 3.2 tp -91.97 130.15 37.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.618 HG22 ' CG1' ' B' ' 347' ' ' VAL . 39.9 t -133.62 94.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.511 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.538 ' HB2' ' HB2' ' B' ' 188' ' ' ASP . . . -130.77 152.11 50.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -63.84 -31.58 72.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.523 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -139.24 115.44 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.455 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -82.85 142.2 31.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.479 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 29.3 t -145.67 142.2 28.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.559 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.849 ' N ' ' HB2' ' B' ' 357' ' ' ALA . . . -52.58 -35.81 54.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.582 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.677 ' OG1' ' CB ' ' B' ' 300' ' ' ALA . 2.0 t -54.14 -40.24 67.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.609 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . 0.484 ' N ' ' CG2' ' B' ' 333' ' ' THR . 62.7 m -66.56 -52.13 48.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' B' ' 337' ' ' GLU . 65.0 tp -61.53 -43.04 99.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . . . . . . . . . . . -68.12 2.16 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.599 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' B' ' 335' ' ' LEU . 32.0 tt0 -108.68 -32.72 7.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.548 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.51 126.13 30.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.613 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -47.73 141.73 15.39 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.755 2.303 . . . . 0.0 112.161 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . 0.558 ' CD ' ' H ' ' B' ' 340' ' ' GLN . 21.9 mp0 -73.33 -12.58 60.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -41.61 80.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.29 -24.17 26.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.466 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.5 HD21 ' CG2' ' B' ' 346' ' ' VAL . 6.7 tt -90.94 103.08 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.507 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.504 HG12 ' O ' ' B' ' 344' ' ' VAL . 7.3 t -123.12 27.06 3.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . -178.43 145.27 6.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.5 ' CG2' HD21 ' B' ' 343' ' ' LEU . 58.8 t -141.89 143.07 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.592 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . 0.618 ' CG1' HG22 ' B' ' 326' ' ' VAL . 1.9 p -152.61 115.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.682 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.638 HG22 ' H ' ' B' ' 350' ' ' ASP . 8.6 p -110.94 157.57 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.528 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . 0.552 ' NH2' ' O ' ' B' ' 374' ' ' ILE . 70.1 mtp85 -74.56 -38.18 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.638 ' H ' HG22 ' B' ' 348' ' ' VAL . 0.1 OUTLIER 174.3 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.584 ' C ' ' O ' ' B' ' 350' ' ' ASP . . . 23.58 -102.97 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . 0.769 ' HB3' ' OG ' ' B' ' 355' ' ' SER . . . -118.25 130.2 55.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.529 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.38 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . 0.53 HD21 HD11 ' B' ' 359' ' ' ILE . 22.5 t-20 -132.48 96.01 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.553 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . 0.769 ' OG ' ' HB3' ' B' ' 352' ' ' ALA . 0.8 OUTLIER -115.9 158.78 22.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -53.69 -41.6 67.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.631 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . 0.849 ' HB2' ' N ' ' B' ' 332' ' ' ALA . . . -63.75 -43.74 95.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . 0.774 ' HB1' HH11 ' B' ' 362' ' ' ARG . . . -55.72 -48.44 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.53 HD11 HD21 ' B' ' 354' ' ' ASN . 73.7 mt -67.21 -34.8 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.561 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 2.7 mtm -67.32 -44.36 79.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 357' ' ' ALA . 46.4 t -63.61 -44.45 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.774 HH11 ' HB1' ' B' ' 358' ' ' ALA . 2.2 mtm180 -60.14 -44.2 95.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.92 -28.0 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.55 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' B' ' 364' ' ' LEU . 14.9 mt -68.49 -27.51 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.57 39.36 5.94 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . . . . . . . . . 67.8 mt -121.75 122.13 27.94 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.895 0.379 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.68 134.84 22.09 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.836 2.357 . . . . 0.0 112.019 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 99.4 m -148.38 147.85 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.55 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.65 155.02 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 1.047 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 2.0 mtt -136.7 162.59 32.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.41 62.12 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -63.18 113.73 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -104.42 45.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.651 ' O ' ' HD3' ' B' ' 376' ' ' PRO . 8.4 tp -115.32 142.17 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.666 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -75.06 107.43 3.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . 0.651 ' HD3' ' O ' ' B' ' 374' ' ' ILE . 50.9 Cg_exo -48.51 -33.32 23.09 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.954 2.436 . . . . 0.0 112.086 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 88.4 p -47.48 -44.64 25.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 85.5 t -69.89 -32.38 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.506 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.603 ' O ' ' N ' ' B' ' 381' ' ' ARG . 7.6 mp -65.81 -33.08 75.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.4 OUTLIER 27.88 -89.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.603 ' N ' ' O ' ' B' ' 379' ' ' LEU . 96.9 mtt-85 -135.72 20.73 3.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.43 170.58 10.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . 0.597 ' OG1' ' HB3' ' B' ' 396' ' ' ASP . 0.0 OUTLIER -79.63 128.32 33.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 0.678 HD12 ' O ' ' B' ' 394' ' ' LEU . 23.9 tp -133.09 114.81 14.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . 0.492 HG23 ' O ' ' B' ' 385' ' ' ILE . 13.0 tt -107.12 120.75 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' B' ' 393' ' ' LEU . 22.4 m -108.31 150.06 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' B' ' 391' ' ' GLY . 52.7 t0 -133.39 88.02 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.625 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' B' ' 177' ' ' ALA . . . -50.26 -44.39 43.77 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -39.38 -51.33 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 110.562 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . 0.414 HH21 ' CG ' ' B' ' 390' ' ' ARG . 0.0 OUTLIER -117.33 17.16 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.488 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 38.57 62.0 1.2 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -116.01 142.49 46.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.634 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.586 HD11 HD21 ' B' ' 384' ' ' LEU . 34.3 tp -120.87 124.58 45.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.506 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.678 ' O ' HD12 ' B' ' 384' ' ' LEU . 0.5 OUTLIER -121.25 150.43 41.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.729 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 1.119 ' O ' ' HD3' ' B' ' 397' ' ' PRO . 21.1 m -119.37 118.8 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.61 ' C ' ' O ' ' B' ' 395' ' ' VAL . 8.6 p-10 -21.58 68.73 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.579 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 1.119 ' HD3' ' O ' ' B' ' 395' ' ' VAL . 40.5 Cg_endo -70.38 -147.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.863 2.375 . . . . 0.0 112.084 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . 0.76 ' CB ' ' CD ' ' B' ' 399' ' ' PRO . 3.8 mm-40 -98.63 -166.75 0.11 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.529 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . 0.76 ' CD ' ' CB ' ' B' ' 398' ' ' GLU . 51.4 Cg_exo -48.51 -22.81 4.58 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.785 2.323 . . . . 0.0 112.098 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . 0.646 ' O ' ' N ' ' B' ' 403' ' ' GLN . 4.2 m -52.88 -31.48 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' B' ' 400' ' ' VAL . 7.3 tt -31.25 -48.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.97 -38.8 79.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.66 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . 0.646 ' N ' ' O ' ' B' ' 400' ' ' VAL . 98.1 mm-40 -60.8 -40.08 91.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.529 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . 0.401 ' CD ' HH22 ' B' ' 407' ' ' ARG . 80.1 mm-40 -64.12 -47.28 80.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.13 -38.74 92.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.33 -40.36 74.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.401 HH22 ' CD ' ' B' ' 404' ' ' GLU . 1.2 mtm105 -63.32 -36.21 82.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.519 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' B' ' 412' ' ' GLU . 29.6 mt -71.88 -41.6 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.542 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . . . . . . . . . 4.7 mm -50.27 -37.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.618 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 60.2 p -87.59 -16.09 35.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -119.24 16.78 13.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.586 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 0.705 ' N ' ' O ' ' B' ' 408' ' ' LEU . 3.0 tt0 -113.72 -108.36 0.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 1.017 HG22 ' H ' ' B' ' 414' ' ' GLU . 95.9 mt -103.58 -125.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 1.017 ' H ' HG22 ' B' ' 413' ' ' ILE . 0.1 OUTLIER -167.08 73.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.644 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 9.2 mt -79.06 -30.02 43.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' B' ' 417' ' ' ARG . 3.7 t -110.33 -95.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . 0.506 HH21 ' HB2' ' B' ' 418' ' ' LEU . 0.0 OUTLIER -146.86 -41.75 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.456 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . 0.719 ' O ' ' HB2' ' B' ' 419' ' ' ALA . 51.2 tp -180.0 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' B' ' 418' ' ' LEU . . . 158.48 51.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' B' ' 421' ' ' ASP . 98.1 mt-10 46.22 -93.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' B' ' 419' ' ' ALA . 8.8 t0 38.94 -157.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.59 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.414 ' H ' ' CG ' ' B' ' 421' ' ' ASP . 93.9 m-20 48.93 22.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.507 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.2 -30.04 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.541 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.4 p -83.31 158.2 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.3 t -132.14 117.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.635 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -124.56 172.72 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.567 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.567 ' O ' HG22 ' A' ' 65' ' ' VAL . 5.5 tt0 -162.39 132.74 4.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -78.45 129.92 35.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.714 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.638 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 27.9 m -130.87 123.8 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -80.64 126.45 31.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.8 mm -89.12 104.87 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.472 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.866 HG22 ' O ' ' A' ' 10' ' ' THR . 20.8 m -82.62 57.13 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 10' ' ' THR . 80.4 m-20 62.63 23.87 14.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -164.79 99.57 0.78 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -5.12 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 19' ' ' PRO . . . 120.28 138.03 5.53 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.648 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 4.2 tpp 41.46 -142.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.583 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 7.9 t-160 -128.26 76.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 73.28 -20.67 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 3.7 mpt_? -47.92 -50.67 52.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.594 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 15' ' ' MET . 50.1 Cg_exo -48.56 -51.56 10.07 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.832 2.355 . . . . 0.0 112.102 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.13 91.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 21' ' ' MET . 1.8 tmt? -66.06 -41.49 90.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -37.56 87.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.549 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.501 ' HA ' HD12 ' A' ' 23' ' ' LEU . 10.6 tp -49.37 -45.88 46.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.593 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CD1' ' CE1' ' B' ' 247' ' ' HIS . 0.3 OUTLIER -57.43 -39.06 75.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.622 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -74.36 -33.98 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.374 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.606 HD12 ' CE1' ' A' ' 30' ' ' PHE . 3.4 mm? -68.08 -42.53 80.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.594 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.446 ' HG2' HG22 ' A' ' 34' ' ' VAL . 53.6 mtp -56.04 -34.03 65.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -79.16 -33.35 44.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.587 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.87 -30.16 39.87 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CE1' HD12 ' A' ' 26' ' ' LEU . 18.3 m-30 -107.82 151.26 25.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.638 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 65.8 t0 -95.06 96.71 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 165.34 154.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.529 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -99.57 129.55 45.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.994 ' C ' HD22 ' A' ' 35' ' ' LEU . 35.5 m -106.99 132.21 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.496 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.994 HD22 ' C ' ' A' ' 34' ' ' VAL . 1.7 mm? -133.42 138.59 46.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.18 150.87 27.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.821 ' O ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -148.39 134.12 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.464 ' ND2' ' HB2' ' A' ' 58' ' ' ALA . 14.8 t-20 -90.4 156.94 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.461 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -53.4 -28.06 27.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -67.36 -11.17 57.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.67 11.5 59.17 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.9 p -84.34 117.21 23.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -78.13 102.97 7.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.558 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.654 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.07 65.54 7.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -40.91 121.17 1.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.624 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.42 -10.79 12.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -99.8 29.8 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.44 122.49 10.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.574 HG23 HD11 ' B' ' 248' ' ' LEU . 14.4 p -62.58 -36.01 73.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 51' ' ' ALA . 30.1 pt -61.15 -38.19 79.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.626 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.654 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -64.81 -42.57 94.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.625 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 52' ' ' LEU . 85.4 mt -58.35 -37.91 76.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.565 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' B' ' 283' ' ' PHE . 92.7 mt -65.66 -36.76 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.8 mtp -67.44 -37.55 83.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.622 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 2.7 tp -61.96 -36.42 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.25 -34.94 48.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.678 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.5 m -76.86 -6.06 50.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.696 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . . . -83.63 29.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.514 ' H ' ' HG2' ' A' ' 59' ' ' LYS . 1.8 ptmt -69.16 97.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.638 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.78 5.37 38.86 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.14 164.46 11.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -97.37 144.07 27.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.821 HG23 ' O ' ' A' ' 37' ' ' ARG . 3.0 mt -131.16 161.73 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.573 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 33.9 tp10 -124.25 100.18 6.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 5' ' ' GLN . 24.0 m -80.33 128.44 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.601 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -120.82 138.35 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.622 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.16 130.7 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.639 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.457 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 8.7 t -123.72 128.78 50.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.467 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.471 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.63 161.26 8.71 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.429 ' O ' ' OE2' ' A' ' 73' ' ' GLU . 53.8 Cg_exo -46.99 -44.67 22.54 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.83 2.353 . . . . 0.0 112.094 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.516 ' CD ' ' H ' ' A' ' 31' ' ' ASP . 29.3 mt-30 -94.53 7.27 46.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.569 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 19.7 pt-20 -38.31 -38.17 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.594 ' HG2' ' H ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -63.68 -48.96 75.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.564 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.594 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 19.8 mt-10 -57.63 -50.63 72.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.51 77.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.1 -44.15 89.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.613 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.43 99.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.483 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.493 ' O ' HD13 ' A' ' 82' ' ' LEU . . . -60.94 -43.68 98.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 23' ' ' LEU . 78.9 t -66.81 -42.07 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.497 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.476 HD11 HG21 ' A' ' 65' ' ' VAL . 1.1 mp -64.7 -41.43 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.22 -35.69 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 78' ' ' ALA . 5.4 mp -73.53 -38.64 65.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.412 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.691 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -72.59 -23.44 60.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.57 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -90.77 -1.47 57.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.571 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' B' ' 393' ' ' LEU . 7.4 ptm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 36.6 mm -98.48 124.71 51.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -81.21 109.49 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.464 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -112.19 157.04 21.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.559 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.86 118.89 65.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -72.73 111.0 3.14 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.826 2.35 . . . . 0.0 112.147 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -95.82 -53.03 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -120.65 108.94 36.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.5 166.06 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.774 2.316 . . . . 0.0 112.161 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' B' ' 388' ' ' GLY . . . 106.37 176.9 23.4 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . 0.405 HG22 ' N ' ' B' ' 181' ' ' ALA . 2.9 p -134.18 153.62 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.575 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . 0.405 ' N ' HG22 ' B' ' 180' ' ' VAL . . . -149.76 147.27 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' B' ' 183' ' ' ALA . 6.4 mt -129.94 124.09 57.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.433 ' HB3' HG13 ' B' ' 324' ' ' ILE . . . 178.16 176.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . 0.55 ' HB2' ' CE2' ' B' ' 323' ' ' PHE . 98.9 mt-10 -79.07 168.18 20.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.451 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -99.93 116.01 5.46 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . 0.467 ' HB2' ' CD2' ' B' ' 323' ' ' PHE . 4.6 t-105 -103.98 140.78 37.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.716 0.293 . . . . 0.0 110.535 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . 0.489 ' CD ' ' H ' ' B' ' 187' ' ' GLN . 2.9 pm0 -103.79 136.98 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -61.46 155.88 20.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.602 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -79.13 49.47 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.592 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.93 112.71 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.431 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . 0.557 HD12 ' N ' ' B' ' 191' ' ' LEU . 10.8 mp -95.78 149.08 35.56 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' B' ' 194' ' ' MET . 52.8 Cg_exo -47.65 82.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.824 2.349 . . . . 0.0 112.136 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.961 ' H ' HD13 ' B' ' 193' ' ' LEU . 0.0 OUTLIER -59.11 -4.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.592 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . 0.714 ' O ' HG12 ' B' ' 197' ' ' VAL . 9.5 ttm -89.76 -55.11 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.547 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . 0.551 ' C ' ' H ' ' B' ' 197' ' ' VAL . 51.5 mp0 -74.24 -13.27 60.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -71.17 30.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.714 HG12 ' O ' ' B' ' 194' ' ' MET . 6.8 p -128.9 117.62 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.516 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -131.6 154.96 48.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 200' ' ' ALA . 4.5 mt-30 -80.71 150.22 29.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.589 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' B' ' 199' ' ' GLN . . . 177.43 119.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.622 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 5.1 p -113.69 111.28 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.53 94.64 0.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.647 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 0.409 HD11 ' HA2' ' B' ' 265' ' ' GLY . 10.5 mp -51.71 128.62 24.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.591 ' OD1' ' OE2' ' B' ' 208' ' ' GLU . 23.6 p-10 -156.63 55.11 0.98 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.624 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' B' ' 209' ' ' ARG . 53.9 Cg_exo -47.23 -64.82 0.21 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.871 2.381 . . . . 0.0 112.068 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -40.47 -47.73 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.54 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . 0.735 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 3.2 tp -76.33 -39.7 53.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.489 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.633 ' HG3' ' HB2' ' B' ' 268' ' ' ALA . 1.4 tp10 -69.35 -63.86 0.99 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.487 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' B' ' 205' ' ' PRO . 0.1 OUTLIER -44.12 -52.07 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.93 -37.69 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.427 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.735 ' HB2' ' O ' ' B' ' 207' ' ' LEU . 1.9 ttt-85 -57.53 -48.37 79.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.488 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.487 HD21 ' HB1' ' B' ' 268' ' ' ALA . 71.4 mt -62.61 -52.95 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.466 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 40.5 p -54.74 -47.96 73.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.385 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.97 95.53 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . 0.55 ' CB ' HD22 ' B' ' 309' ' ' LEU . . . -70.86 -43.36 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 110.415 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' B' ' 220' ' ' ALA . 31.0 mt -59.66 -49.1 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.417 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.542 ' HG2' ' ND2' ' B' ' 221' ' ' ASN . 0.2 OUTLIER -49.42 -34.04 15.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.418 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.511 ' CD ' ' HD1' ' B' ' 308' ' ' HIS . 32.4 tt0 -78.34 -33.98 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.366 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -87.5 -49.48 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.371 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.621 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -56.58 -51.99 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.486 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.542 ' ND2' ' HG2' ' B' ' 217' ' ' GLU . 96.6 m-20 -62.91 -34.16 76.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.4 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . 0.476 ' OE1' ' NH1' ' B' ' 304' ' ' ARG . 25.6 tt0 -68.54 -34.25 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.483 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.38 -45.22 88.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.411 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.92 -38.56 91.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 15.4 ttm105 -67.12 -31.05 71.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.509 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . 0.779 ' CE2' ' O ' ' B' ' 336' ' ' ALA . 2.5 m-85 -64.68 -60.86 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.79 -47.53 30.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.526 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -58.08 -37.49 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.519 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . 0.431 HH12 ' HA ' ' B' ' 339' ' ' PRO . 3.1 mtp180 -68.09 -42.4 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.521 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.716 ' CD2' HG21 ' B' ' 238' ' ' THR . 19.2 m-85 -67.62 -45.33 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . . . . . . . . . . . -54.73 -26.77 36.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -60.53 -22.38 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . 0.602 ' O ' ' C ' ' B' ' 234' ' ' ALA . . . -164.06 -113.93 0.3 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.602 ' C ' ' O ' ' B' ' 233' ' ' GLY . . . 21.63 -139.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.482 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.62 154.79 24.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -71.15 -19.83 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.502 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.05 -44.86 95.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.634 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.716 HG21 ' CD2' ' B' ' 230' ' ' PHE . 4.1 m -58.42 -53.81 54.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.505 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . . . . . . . . . . . -51.3 -44.28 61.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.479 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . . . -62.34 -30.49 71.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.598 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' B' ' 241' ' ' ILE . 9.9 mm -70.99 -65.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.501 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.72 -58.21 8.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -45.45 -39.5 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . 1.066 HD13 ' C ' ' B' ' 244' ' ' LEU . 0.4 OUTLIER -71.83 -37.24 70.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.545 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.789 ' N ' HD13 ' B' ' 244' ' ' LEU . 0.3 OUTLIER -72.72 -34.52 67.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 52.8 p -48.36 -53.63 16.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.68 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.532 ' C ' ' ND1' ' B' ' 247' ' ' HIS . 0.1 OUTLIER -75.39 -34.47 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.52 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 0.5 OUTLIER -63.29 -43.2 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.87 HD12 HD11 ' B' ' 301' ' ' LEU . 0.3 OUTLIER -72.35 -43.19 64.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . 0.835 ' N ' HD23 ' B' ' 249' ' ' LEU . 87.9 p -68.79 -11.6 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.827 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 49.4 p30 -45.86 127.35 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.523 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . 0.477 ' O ' ' CG ' ' B' ' 256' ' ' ARG . 4.3 t -58.62 1.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.662 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.549 ' H ' ' C ' ' B' ' 251' ' ' ASP . 30.6 ttp-105 -85.21 -49.15 8.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . . . . . . . . . 6.4 tp -71.79 -46.48 58.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.429 HH21 ' HD3' ' B' ' 255' ' ' ARG . 30.8 ttp-105 -59.27 -55.51 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' B' ' 252' ' ' THR . 22.4 mmt85 -56.52 -40.79 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' B' ' 260' ' ' ALA . 20.4 mm-40 -54.5 -46.0 73.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.594 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.503 HD12 HG11 ' B' ' 275' ' ' VAL . 7.2 mp -57.75 -58.65 7.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.654 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' B' ' 259' ' ' PHE . 0.0 OUTLIER -55.94 -30.96 62.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.695 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 257' ' ' GLU . . . -59.29 -42.42 91.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.73 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' B' ' 264' ' ' LYS . 4.6 tp10 -64.46 -38.13 89.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.613 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . 0.467 HG21 ' HG2' ' B' ' 208' ' ' GLU . 62.0 t -66.73 -37.14 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.598 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -13.77 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' B' ' 261' ' ' GLU . 0.0 OUTLIER -92.31 -18.03 23.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.623 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' B' ' 264' ' ' LYS . . . 121.6 18.51 3.64 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 54.0 m -102.73 166.49 10.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 110.485 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . 0.476 HG23 ' H ' ' B' ' 270' ' ' TRP . 31.7 m -104.38 154.96 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.633 ' HB2' ' HG3' ' B' ' 208' ' ' GLU . . . -57.04 -45.87 82.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.56 -64.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.643 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . 0.476 ' H ' HG23 ' B' ' 267' ' ' VAL . 5.7 t90 -68.14 -44.11 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 275' ' ' VAL . . . -50.77 -47.94 59.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.732 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.529 HG13 HD23 ' B' ' 305' ' ' LEU . 71.2 t -59.26 -41.76 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' B' ' 193' ' ' LEU . 6.1 tttt -77.07 -46.08 24.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.69 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . 0.453 ' O ' ' N ' ' B' ' 278' ' ' LYS . 93.0 m -58.2 -56.21 24.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.681 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 271' ' ' ALA . 85.5 t -50.75 -55.82 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.438 HD13 ' O ' ' B' ' 272' ' ' VAL . 1.2 mp -55.26 -38.7 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.656 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' B' ' 281' ' ' GLU . 1.0 OUTLIER -75.99 -33.91 59.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.574 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' B' ' 274' ' ' THR . 12.5 ttpt -72.86 -32.17 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.625 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . 0.526 ' O ' ' HD2' ' B' ' 283' ' ' PHE . 0.5 OUTLIER -87.2 -15.82 37.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . 0.844 ' O ' ' HB2' ' B' ' 284' ' ' ALA . . . -76.37 -39.12 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.502 ' HA ' ' HB3' ' B' ' 284' ' ' ALA . 3.5 mm-40 -85.46 -30.11 23.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -59.7 -49.81 76.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.592 ' CD1' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -87.28 -28.65 22.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.51 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . 0.844 ' HB2' ' O ' ' B' ' 280' ' ' ALA . . . -61.79 -14.53 33.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.506 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . . . . . . . . . . . -72.16 -11.32 60.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.684 ' CB ' HD22 ' B' ' 291' ' ' LEU . 3.6 mm? -73.68 173.94 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 61.0 m -112.68 -26.5 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.698 ' O ' HD23 ' B' ' 291' ' ' LEU . 0.1 OUTLIER -42.18 128.67 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.594 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . 0.448 ' CG ' ' N ' ' B' ' 290' ' ' TYR . 17.3 p-10 -57.61 -49.79 75.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.516 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . 0.653 ' O ' ' HG3' ' B' ' 293' ' ' GLU . 43.5 t80 -47.48 -25.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.831 ' HG ' ' N ' ' B' ' 292' ' ' LYS . 0.5 OUTLIER -75.68 -45.46 36.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.831 ' N ' ' HG ' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -49.82 -45.69 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.533 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' B' ' 290' ' ' TYR . 0.0 OUTLIER -72.22 -27.96 62.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.391 179.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.597 ' NH1' ' OH ' ' B' ' 290' ' ' TYR . 8.7 tpp180 -61.72 -42.61 99.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.484 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -52.78 -49.4 65.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.454 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -50.77 -44.39 48.46 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.517 ' HB3' ' CE1' ' B' ' 245' ' ' TYR . 7.8 m-20 -67.26 -42.59 83.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.33 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -51.25 70.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.298 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -53.5 -43.65 68.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.332 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . 0.499 ' CB ' ' OG1' ' B' ' 333' ' ' THR . . . -64.04 -39.7 94.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.255 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.87 HD11 HD12 ' B' ' 249' ' ' LEU . 5.3 tt -58.71 -42.83 89.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.374 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -64.37 -42.65 97.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -58.79 -40.67 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.311 . . . . 0.0 110.296 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.476 ' NH1' ' OE1' ' B' ' 222' ' ' GLU . 10.5 mtp180 -75.27 -40.67 58.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.408 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . 0.529 HD23 HG13 ' B' ' 272' ' ' VAL . 3.3 tp -63.54 -41.71 98.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.415 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . 0.401 ' O ' HD23 ' B' ' 306' ' ' LEU . 6.9 tt -69.71 -34.77 74.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.322 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . 0.581 ' CE1' ' OD1' ' B' ' 313' ' ' ASN . 46.6 t80 -66.98 -40.49 87.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.466 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.511 ' HD1' ' CD ' ' B' ' 218' ' ' GLU . 55.3 m-70 -72.58 -24.51 61.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.55 HD22 ' CB ' ' B' ' 215' ' ' ALA . 0.5 OUTLIER -69.76 -7.85 43.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -139.4 73.64 1.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.12 -13.88 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' B' ' 313' ' ' ASN . . . -58.17 -32.0 67.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.526 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . 0.581 ' OD1' ' CE1' ' B' ' 307' ' ' PHE . 0.1 OUTLIER -56.59 -121.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.55 89.96 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . 0.489 ' N ' ' HD2' ' B' ' 316' ' ' PRO . . . -56.75 -57.93 17.07 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' B' ' 315' ' ' GLY . 50.3 Cg_endo -72.66 140.38 32.47 Favored 'Trans proline' 0 C--N 1.303 -1.858 0 C-N-CA 122.872 2.381 . . . . 0.0 112.076 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' B' ' 318' ' ' ALA . 23.0 m120 -114.11 29.03 8.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' B' ' 317' ' ' ASN . . . -36.33 97.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.618 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' B' ' 317' ' ' ASN . 86.8 m95 -80.49 147.35 63.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.68 173.08 13.94 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.878 2.385 . . . . 0.0 112.175 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 8.4 pm0 -80.14 -26.34 39.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' B' ' 323' ' ' PHE . 0.4 OUTLIER -155.17 149.7 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.582 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' B' ' 184' ' ' GLU . 0.2 OUTLIER 172.52 166.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.559 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.433 HG13 ' HB3' ' B' ' 183' ' ' ALA . 70.3 mt -116.18 137.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 56.0 tp -78.71 121.26 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.6 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.43 HG11 HD12 ' B' ' 379' ' ' LEU . 60.5 t -117.41 113.67 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.502 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.621 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -151.17 156.94 41.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -68.42 -21.77 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -155.4 157.8 37.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.607 ' H ' HD12 ' B' ' 330' ' ' LEU . 0.3 OUTLIER -93.53 127.33 39.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . 0.498 ' OG ' ' OG1' ' B' ' 334' ' ' THR . 0.3 OUTLIER -126.8 131.25 51.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.55 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.62 82.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' B' ' 300' ' ' ALA . 14.2 p -64.95 -36.04 83.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . 0.498 ' OG1' ' OG ' ' B' ' 331' ' ' SER . 98.2 m -67.25 -53.67 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' B' ' 337' ' ' GLU . 2.6 tt -55.45 -29.26 58.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.641 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . 0.779 ' O ' ' CE2' ' B' ' 226' ' ' TYR . . . -75.06 12.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' B' ' 335' ' ' LEU . 94.6 mt-10 -100.72 -31.14 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.61 145.88 34.78 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . 0.431 ' HA ' HH12 ' B' ' 229' ' ' ARG . 50.7 Cg_endo -72.73 157.1 52.58 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.748 2.299 . . . . 0.0 112.196 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -71.97 -20.64 61.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.71 -45.93 91.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.45 ' O ' HG23 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -82.59 -23.5 34.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.694 HD23 ' H ' ' B' ' 345' ' ' GLY . 2.1 tt -75.32 103.01 5.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 342' ' ' ARG . 1.4 t -121.61 20.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . 0.694 ' H ' HD23 ' B' ' 343' ' ' LEU . . . 162.48 161.59 12.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 25.4 t -145.55 150.77 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.576 0.227 . . . . 0.0 110.642 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 92.4 t -144.13 118.17 3.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.533 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.621 ' HA ' ' O ' ' B' ' 327' ' ' ALA . 0.2 OUTLIER -117.48 151.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.605 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -80.5 -39.12 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.503 ' O ' ' O ' ' B' ' 351' ' ' GLY . 16.6 t70 -147.9 -91.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . 0.503 ' O ' ' O ' ' B' ' 350' ' ' ASP . . . 54.3 154.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -77.35 132.8 38.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.62 -13.58 59.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -98.95 3.83 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . . . . . . . . . 79.3 p -70.35 155.11 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.618 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' B' ' 357' ' ' ALA . 18.9 pt20 -56.83 -42.21 79.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.489 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' B' ' 356' ' ' GLN . . . -62.08 -45.3 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.448 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.2 93.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.617 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 47.6 mm -74.17 -30.59 27.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . . . . . . . . . 39.2 ttm -60.94 -48.25 82.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.495 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.448 HG12 ' N ' ' B' ' 362' ' ' ARG . 1.0 OUTLIER -67.36 -47.62 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.448 ' N ' HG12 ' B' ' 361' ' ' VAL . 8.0 ttp180 -58.14 -46.32 85.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -68.24 -22.92 64.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . 0.468 HD23 HG13 ' B' ' 366' ' ' ILE . 20.9 tp -75.24 -30.53 60.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 90.46 38.69 6.17 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . 0.468 HG13 HD23 ' B' ' 364' ' ' LEU . 42.2 mm -116.72 124.35 29.44 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.389 . . . . 0.0 110.521 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.44 132.96 20.28 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.902 2.402 . . . . 0.0 112.055 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . . . . . . . . . 58.7 m -157.68 142.57 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.2 150.63 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.737 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 1.6 mtt -126.89 165.4 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.531 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.46 -6.79 61.32 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -55.5 111.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -93.75 35.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 38.0 mm -113.74 128.12 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.557 ' CD ' ' H ' ' B' ' 375' ' ' GLN . 9.4 pm0 -66.33 150.84 96.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.68 -20.0 23.58 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.773 2.315 . . . . 0.0 112.064 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 78.0 p -62.07 -41.29 98.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 74.7 t -74.54 -34.68 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.533 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.733 ' O ' ' N ' ' B' ' 381' ' ' ARG . 66.6 mt -68.16 -31.65 71.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.592 ' O ' ' O ' ' B' ' 185' ' ' GLY . 0.1 OUTLIER 23.45 -81.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.557 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.733 ' N ' ' O ' ' B' ' 379' ' ' LEU . 17.2 ptp180 -147.03 22.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . 0.479 ' NH2' ' OD2' ' B' ' 396' ' ' ASP . 1.7 ttt180 -68.32 174.5 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 88.2 m -79.36 123.48 27.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.92 115.61 24.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . . . . . . . . . 80.1 mt -107.3 100.54 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.656 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.8 145.19 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.441 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.725 ' O ' ' N ' ' B' ' 391' ' ' GLY . 54.5 t0 -129.74 83.94 2.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.618 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 179' ' ' GLY . . . -45.23 -45.27 10.43 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -54.5 42.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -90.57 -1.53 57.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.725 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 43.78 55.31 5.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . 0.564 ' O ' HD23 ' B' ' 393' ' ' LEU . 20.8 mt-10 -129.49 157.21 42.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' B' ' 173' ' ' ALA . 2.4 mt -127.48 128.77 46.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . . . . . . . . . 10.2 mt -123.88 144.75 49.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.56 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.628 ' O ' ' C ' ' B' ' 396' ' ' ASP . 7.0 p -116.32 124.02 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.628 ' C ' ' O ' ' B' ' 395' ' ' VAL . 12.6 p30 15.93 62.4 0.16 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.534 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' B' ' 395' ' ' VAL . 50.6 Cg_endo -72.85 170.7 19.01 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.948 2.432 . . . . 0.0 112.102 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -48.28 150.32 2.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.509 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.72 -29.7 15.45 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.775 2.317 . . . . 0.0 112.091 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . 0.572 HG13 ' N ' ' B' ' 401' ' ' LEU . 8.5 p -73.61 -44.23 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.506 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.572 ' N ' HG13 ' B' ' 400' ' ' VAL . 1.7 mm? -49.91 -51.42 40.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.54 -30.16 68.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.643 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -57.0 -61.56 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.439 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.53 -35.45 80.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -45.13 -42.04 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . 0.47 ' O ' HG22 ' B' ' 409' ' ' ILE . 11.6 tp60 -73.19 -31.25 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.688 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -74.26 -38.91 63.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.606 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.59 -38.93 88.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.542 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . 0.47 HG22 ' O ' ' B' ' 406' ' ' GLN . 1.8 tp -67.16 -31.79 54.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . . . . . . . . . 6.2 p -88.87 -19.82 25.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -43.65 -69.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' B' ' 412' ' ' GLU . 5.5 pt-20 -178.42 30.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 0.582 ' O ' ' OG ' ' B' ' 416' ' ' SER . 1.7 mp -106.4 -80.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.545 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . 0.581 ' N ' HG22 ' B' ' 413' ' ' ILE . 75.3 tt0 25.7 -113.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.46 -38.44 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.582 ' OG ' ' O ' ' B' ' 413' ' ' ILE . 86.7 p -42.46 -52.27 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -119.74 18.61 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . 0.409 ' CA ' ' O ' ' B' ' 414' ' ' GLU . 16.6 mt 53.6 -98.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . . . . . . . . . . . -155.78 -163.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' B' ' 422' ' ' ASP . 14.3 tt0 74.09 -145.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 61.72 -67.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.598 ' O ' ' O ' ' B' ' 423' ' ' VAL . 86.0 m-20 56.84 -169.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.542 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . 0.598 ' O ' ' O ' ' B' ' 422' ' ' ASP . 73.2 t 45.08 108.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.593 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.651 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ptp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -82.15 160.3 23.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -134.28 116.63 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.555 ' HD3' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -122.56 172.46 8.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.698 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -161.52 132.8 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.436 ' H ' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -80.36 128.8 33.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.637 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 7' ' ' VAL . 9.5 p -130.13 125.58 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.409 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -81.73 125.57 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.916 HG12 HD11 ' A' ' 63' ' ' ILE . 23.3 mm -89.16 104.26 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.2 p -82.3 54.43 2.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.3 OUTLIER 65.35 22.29 12.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 14' ' ' GLY . 10.9 tttt -161.27 97.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.643 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -62.14 -2.84 1.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 179.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.708 ' C ' ' SD ' ' A' ' 15' ' ' MET . . . 161.96 -35.98 0.37 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.991 ' SD ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 173.61 -128.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.789 0.328 . . . . 0.0 110.557 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.693 ' N ' ' HG2' ' A' ' 15' ' ' MET . 83.1 t60 -88.95 -48.33 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.522 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 172.58 101.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 1.014 ' H ' ' CD ' ' A' ' 19' ' ' PRO . 1.2 ttt85 -167.53 -32.29 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.014 ' CD ' ' H ' ' A' ' 18' ' ' ARG . 35.1 Cg_endo -67.78 -41.38 8.16 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.789 2.326 . . . . 0.0 112.066 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -68.85 -39.89 79.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.2 ttp -72.64 -39.56 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.514 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 13.7 tptt -63.42 -36.96 85.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.559 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.847 HD22 HG21 ' A' ' 34' ' ' VAL . 1.5 mt -50.13 -44.85 52.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.654 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -56.95 -38.7 73.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -74.2 -34.11 63.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.526 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.66 -40.91 79.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ttm -56.61 -32.09 64.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.655 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -81.29 -35.31 31.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.19 -30.67 45.27 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.537 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 29.4 m-85 -106.85 149.46 27.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.588 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.755 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 2.0 m-20 -93.82 96.64 9.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 165.74 154.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.53 130.15 45.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.864 ' O ' HD12 ' A' ' 35' ' ' LEU . 28.8 m -107.57 132.67 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.864 HD12 ' O ' ' A' ' 34' ' ' VAL . 3.4 mp -134.49 137.75 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 36' ' ' LEU . 6.6 mp -108.4 151.25 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.642 ' O ' HG22 ' A' ' 63' ' ' ILE . 25.3 ttm-85 -148.51 134.01 18.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.652 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.569 ' HA ' ' CG2' ' A' ' 63' ' ' ILE . 30.7 m120 -89.86 156.85 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 64.0 t0 -53.46 -27.99 27.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -67.6 -10.37 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.94 11.65 59.98 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.6 m -84.58 116.98 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -77.78 103.5 7.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.652 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.78 65.56 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.49 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.616 ' HB3' HD22 ' A' ' 47' ' ' ASN . 89.4 mt-10 -40.85 121.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -9.28 10.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.616 HD22 ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -100.4 27.36 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.532 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.76 122.76 11.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.544 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.706 ' O ' HD13 ' A' ' 53' ' ' LEU . 75.3 t -62.37 -36.18 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.47 HG22 ' HE1' ' B' ' 283' ' ' PHE . 17.2 pt -60.7 -38.3 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.652 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -64.62 -43.21 94.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.506 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.413 HD22 ' HB1' ' A' ' 20' ' ' ALA . 97.3 mt -58.09 -38.12 75.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 49' ' ' VAL . 11.0 mp -65.14 -36.62 84.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.592 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.5 mtt -67.5 -38.89 85.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 55' ' ' LEU . 1.7 tt -60.53 -36.12 77.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.647 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -52.3 -34.86 48.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.583 ' HB3' ' OD2' ' B' ' 288' ' ' ASP . 0.1 OUTLIER -76.82 -7.03 54.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.619 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.73 29.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.574 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 15.0 pttt -69.27 96.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.74 5.16 39.21 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.693 ' NH2' ' H ' ' A' ' 62' ' ' GLN . 0.4 OUTLIER -105.66 165.4 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.562 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.894 ' C ' HD13 ' A' ' 63' ' ' ILE . 1.7 tm0? -98.2 142.96 29.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.52 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.916 HD11 HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -129.32 163.06 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.586 ' OE1' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -125.74 99.5 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.513 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.598 HG11 HG21 ' A' ' 79' ' ' VAL . 21.5 t -79.89 129.47 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -122.13 140.39 52.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.48 131.5 27.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.685 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.7 t -121.91 141.81 50.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.92 -176.42 19.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.755 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -73.58 -36.22 4.03 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.802 2.335 . . . . 0.0 112.147 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.558 ' OE1' ' N ' ' A' ' 31' ' ' ASP . 91.8 mt-30 -99.29 4.55 46.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.573 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 71' ' ' GLN . 16.9 pt-20 -36.85 -42.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -58.32 -48.91 79.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' GLN . 25.9 mm-40 -59.11 -49.67 76.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.661 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.981 ' O ' HG13 ' A' ' 79' ' ' VAL . . . -58.39 -48.4 80.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.947 ' O ' HG22 ' A' ' 79' ' ' VAL . 2.7 tt -65.05 -43.71 91.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.14 99.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.544 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.01 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.981 HG13 ' O ' ' A' ' 75' ' ' ALA . 2.9 m -66.28 -42.09 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.493 ' N ' HG23 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -65.36 -40.96 90.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.55 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.425 ' N ' HG22 ' A' ' 80' ' ' ILE . . . -63.67 -37.36 87.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -71.81 -38.39 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.5 m-85 -69.45 -31.51 69.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.612 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -83.03 -3.75 57.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 171' ' ' ILE . . . . . 0.516 HD13 ' OD1' ' B' ' 373' ' ' ASP . 85.6 mt -132.35 139.18 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.673 ' H ' ' HD3' ' B' ' 172' ' ' ARG . 0.0 OUTLIER -87.72 117.51 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . 0.953 ' HB1' ' O ' ' B' ' 370' ' ' MET . . . -115.19 156.8 24.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' B' ' 370' ' ' MET . 1.0 OUTLIER -71.91 114.9 32.85 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 175' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -72.54 116.06 4.57 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.802 2.335 . . . . 0.0 112.13 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -93.39 -27.69 16.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.484 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -153.08 109.93 2.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.42 152.14 2.6 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.902 2.401 . . . . 0.0 112.124 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 132.28 162.65 10.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.14 149.01 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -151.47 146.65 26.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.564 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 182' ' ' ILE . . . . . . . . . . . . . 5.4 mt -123.63 122.12 64.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 183' ' ' ALA . . . . . 0.641 ' O ' HD13 ' B' ' 384' ' ' LEU . . . -169.3 -171.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.571 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' B' ' 382' ' ' ARG . 15.5 mt-10 -100.59 159.12 15.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . 0.535 ' O ' ' O ' ' B' ' 380' ' ' HIS . . . -87.44 126.62 8.08 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 186' ' ' TRP . . . . . 0.421 ' O ' HG12 ' B' ' 326' ' ' VAL . 63.7 t-105 -142.58 148.31 37.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 110.557 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 187' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -108.58 139.19 43.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.543 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -51.58 169.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 189' ' ' ALA . . . . . . . . . . . . . . . -79.75 17.98 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.466 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 190' ' ' THR . . . . . . . . . . . . . 79.6 m -84.97 114.87 22.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 191' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' B' ' 193' ' ' LEU . 17.2 mt -138.28 142.8 36.46 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.487 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.682 ' C ' HD22 ' B' ' 193' ' ' LEU . 54.3 Cg_exo -47.12 145.67 7.32 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.88 2.387 . . . . 0.0 112.163 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 193' ' ' LEU . . . . . 0.682 HD22 ' C ' ' B' ' 192' ' ' PRO . 4.4 mm? -111.72 12.04 21.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.64 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 194' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' B' ' 194' ' ' MET . 0.3 OUTLIER -73.51 -44.39 57.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.566 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . 0.553 ' CD ' ' N ' ' B' ' 196' ' ' GLN . 0.1 OUTLIER -81.23 -23.56 37.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.592 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 196' ' ' GLN . . . . . 0.553 ' N ' ' CD ' ' B' ' 195' ' ' GLU . 7.4 tt0 -66.39 -30.92 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.598 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 197' ' ' VAL . . . . . 0.448 ' CG1' ' HE1' ' B' ' 270' ' ' TRP . 7.2 t -68.65 135.64 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -120.75 -175.67 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 199' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -90.44 128.64 36.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 200' ' ' ALA . . . . . 0.602 ' O ' ' CH2' ' B' ' 270' ' ' TRP . . . 179.29 124.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 1.2 m -121.47 93.13 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 22.1 m -143.35 103.04 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.535 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 0.573 HD23 ' H ' ' B' ' 203' ' ' LEU . 2.0 pt? -85.06 139.19 31.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.515 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.64 ' OD1' ' HG2' ' B' ' 208' ' ' GLU . 0.1 OUTLIER -158.4 84.52 2.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.08 -29.59 12.61 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.838 2.358 . . . . 0.0 112.141 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -70.23 -43.57 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.564 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 207' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' B' ' 211' ' ' ARG . 5.3 mt -94.83 -33.12 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.462 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 208' ' ' GLU . . . . . 0.73 ' OE1' ' N ' ' B' ' 268' ' ' ALA . 8.8 mm-40 -65.23 -58.84 4.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.516 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 209' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.24 -46.55 79.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 210' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -68.6 -38.49 80.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 211' ' ' ARG . . . . . 0.599 ' NH2' ' HB3' ' B' ' 268' ' ' ALA . 0.1 OUTLIER -52.16 -50.18 62.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.513 HD21 ' CG2' ' B' ' 272' ' ' VAL . 0.6 OUTLIER -70.73 -51.77 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.56 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 213' ' ' THR . . . . . . . . . . . . . 28.6 m -51.57 -54.92 22.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.557 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -57.67 -34.37 70.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 215' ' ' ALA . . . . . 0.7 ' CB ' HD22 ' B' ' 309' ' ' LEU . . . -69.75 -46.16 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.511 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' B' ' 220' ' ' ALA . 1.3 mp -55.1 -50.25 69.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 217' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' B' ' 221' ' ' ASN . 2.7 mm-40 -54.56 -27.96 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.528 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -81.28 -35.52 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . 0.418 ' HB2' ' CD2' ' B' ' 308' ' ' HIS . . . -97.09 -52.6 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . 0.692 ' N ' ' O ' ' B' ' 216' ' ' LEU . . . -49.42 -52.73 26.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 221' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' B' ' 217' ' ' GLU . 97.5 m-20 -65.36 -33.29 75.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.575 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -66.61 -40.46 88.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 223' ' ' PHE . . . . . 0.504 ' CZ ' ' NH1' ' B' ' 304' ' ' ARG . 5.0 m-85 -64.89 -45.81 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 224' ' ' ARG . . . . . 0.4 HH21 ' HD2' ' B' ' 224' ' ' ARG . 3.7 ttm105 -56.27 -55.79 28.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 225' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -61.06 -28.55 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 226' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -56.13 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.51 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 227' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.03 -50.04 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 228' ' ' LYS . . . . . 0.591 ' H ' ' HD2' ' B' ' 228' ' ' LYS . 0.2 OUTLIER -51.88 -43.4 63.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.616 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 229' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -64.83 -42.95 94.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.463 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 230' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' B' ' 234' ' ' ALA . 2.9 m-85 -65.51 -48.23 73.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.516 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 231' ' ' ALA . . . . . 0.635 ' HB2' ' CB ' ' B' ' 239' ' ' ALA . . . -50.19 -35.23 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 232' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.31 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.597 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 233' ' ' GLY . . . . . . . . . . . . . . . -123.4 -67.75 0.22 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 234' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' B' ' 230' ' ' PHE . . . -51.32 179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.565 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 235' ' ' GLN . . . . . 0.434 ' H ' ' HG3' ' B' ' 235' ' ' GLN . 0.0 OUTLIER -79.73 171.82 14.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.536 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 236' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' B' ' 237' ' ' GLU . 64.5 pttt -65.19 -39.75 93.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' B' ' 236' ' ' LYS . 5.6 tt0 -49.52 -49.19 46.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 238' ' ' THR . . . . . 0.409 ' O ' ' HB ' ' B' ' 241' ' ' ILE . 0.2 OUTLIER -60.09 -58.93 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 239' ' ' ALA . . . . . 0.635 ' CB ' ' HB2' ' B' ' 231' ' ' ALA . . . -55.16 -42.4 73.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.476 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -66.99 -27.35 67.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 241' ' ' ILE . . . . . 0.469 HG22 ' N ' ' B' ' 242' ' ' PHE . 6.9 mt -70.54 -61.12 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.541 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 242' ' ' PHE . . . . . 0.779 ' CZ ' ' HB2' ' B' ' 336' ' ' ALA . 36.7 m-85 -54.71 -56.13 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 243' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' B' ' 242' ' ' PHE . 0.5 OUTLIER -36.65 -41.96 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.491 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 244' ' ' LEU . . . . . . . . . . . . . 29.6 tp -70.75 -35.29 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 245' ' ' TYR . . . . . 0.599 ' N ' ' O ' ' B' ' 242' ' ' PHE . 9.1 m-30 -70.2 -43.32 70.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 246' ' ' SER . . . . . . . . . . . . . 35.2 m -45.36 -43.19 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.639 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 247' ' ' HIS . . . . . 0.569 ' O ' ' HB3' ' B' ' 251' ' ' ASP . 0.7 OUTLIER -74.58 -26.28 59.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 248' ' ' LEU . . . . . 0.711 ' O ' ' CG ' ' B' ' 251' ' ' ASP . 2.5 tt -62.32 -45.01 95.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 249' ' ' LEU . . . . . 0.556 HD23 HD23 ' B' ' 248' ' ' LEU . 5.8 mt -74.41 -42.89 58.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 250' ' ' SER . . . . . . . . . . . . . 54.3 p -73.5 -19.01 61.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 251' ' ' ASP . . . . . 0.884 ' O ' ' OD1' ' B' ' 251' ' ' ASP . 50.4 p30 -52.12 128.42 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 252' ' ' THR . . . . . . . . . . . . . 4.9 t -60.0 -0.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 253' ' ' ARG . . . . . 0.568 HH21 HD12 ' B' ' 254' ' ' LEU . 3.8 tmt_? -76.43 -52.99 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 254' ' ' LEU . . . . . 0.568 HD12 HH21 ' B' ' 253' ' ' ARG . 0.0 OUTLIER -74.58 -36.98 63.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.613 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 255' ' ' ARG . . . . . 0.562 HH11 HH12 ' B' ' 256' ' ' ARG . 10.8 ttp-105 -61.03 -48.13 83.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 256' ' ' ARG . . . . . 0.562 HH12 HH11 ' B' ' 255' ' ' ARG . 9.3 mmp_? -64.06 -42.18 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.791 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 257' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.92 -49.82 67.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.721 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 258' ' ' LEU . . . . . 0.563 HD23 HG21 ' B' ' 275' ' ' VAL . 14.9 mt -57.17 -53.02 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 259' ' ' PHE . . . . . 0.67 ' O ' HG22 ' B' ' 262' ' ' VAL . 6.9 m-30 -57.49 -31.34 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 260' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.63 80.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 261' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -70.48 -48.43 55.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 262' ' ' VAL . . . . . 0.67 HG22 ' O ' ' B' ' 259' ' ' PHE . 2.4 m -60.5 -39.24 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 263' ' ' ASP . . . . . 0.458 ' N ' ' CG2' ' B' ' 262' ' ' VAL . 93.0 m-20 -64.54 -12.62 46.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 264' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -93.59 -19.37 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 265' ' ' GLY . . . . . . . . . . . . . . . 122.98 12.58 4.82 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' B' ' 262' ' ' VAL . 45.9 t -92.76 153.65 18.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.576 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 267' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' B' ' 268' ' ' ALA . 82.6 t -98.6 143.88 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.541 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 268' ' ' ALA . . . . . 0.73 ' N ' ' OE1' ' B' ' 208' ' ' GLU . . . -37.9 -45.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . 0.421 ' H ' HG12 ' B' ' 267' ' ' VAL . 0.1 OUTLIER -47.66 -60.54 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 270' ' ' TRP . . . . . 0.602 ' CH2' ' O ' ' B' ' 200' ' ' ALA . 15.8 m0 -73.64 -39.23 64.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 271' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' B' ' 268' ' ' ALA . . . -47.22 -56.12 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 272' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 276' ' ' ILE . 82.1 t -63.42 -31.94 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 273' ' ' LYS . . . . . 0.688 ' O ' HG13 ' B' ' 276' ' ' ILE . 57.6 tttt -73.29 -40.49 64.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.608 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 274' ' ' THR . . . . . . . . . . . . . 97.7 m -66.62 -50.81 61.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 275' ' ' VAL . . . . . 0.563 HG21 HD23 ' B' ' 258' ' ' LEU . 69.3 t -50.56 -54.51 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 276' ' ' ILE . . . . . 0.921 HG23 ' O ' ' B' ' 272' ' ' VAL . 1.3 pp -57.82 -30.94 39.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 277' ' ' GLU . . . . . 0.565 ' N ' HG13 ' B' ' 276' ' ' ILE . 92.1 mt-10 -76.25 -34.67 59.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.684 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 278' ' ' LYS . . . . . 0.603 ' O ' ' CD ' ' B' ' 281' ' ' GLU . 5.2 mtpm? -64.3 -31.26 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.611 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 279' ' ' PHE . . . . . 0.556 ' C ' ' CD1' ' B' ' 279' ' ' PHE . 0.0 OUTLIER -79.06 -32.01 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 280' ' ' ALA . . . . . . . . . . . . . . . -43.12 -48.45 6.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.6 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.603 ' CD ' ' O ' ' B' ' 278' ' ' LYS . 24.4 pm0 -82.65 -24.9 33.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 282' ' ' GLN . . . . . 0.502 ' N ' ' HG2' ' B' ' 281' ' ' GLU . 13.2 tt0 -60.0 -51.04 71.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 283' ' ' PHE . . . . . 0.47 ' HE1' HG22 ' A' ' 50' ' ' ILE . 8.2 m-30 -78.09 -30.92 49.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.619 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 284' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' B' ' 286' ' ' LEU . . . -54.97 -58.16 8.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 285' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' B' ' 284' ' ' ALA . . . -33.6 -40.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.476 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 286' ' ' LEU . . . . . 0.987 ' HB2' HD21 ' B' ' 291' ' ' LEU . 16.6 mt -79.11 151.23 31.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.488 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 287' ' ' SER . . . . . . . . . . . . . 94.7 p -111.16 -7.14 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 288' ' ' ASP . . . . . 0.791 ' CG ' HD23 ' B' ' 291' ' ' LEU . 0.0 OUTLIER -50.21 120.51 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 289' ' ' ASN . . . . . 0.829 HD22 ' N ' ' B' ' 290' ' ' TYR . 0.5 OUTLIER -58.62 -51.73 68.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.492 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 290' ' ' TYR . . . . . 0.829 ' N ' HD22 ' B' ' 289' ' ' ASN . 57.6 t80 -48.79 -35.94 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.51 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 291' ' ' LEU . . . . . 0.987 HD21 ' HB2' ' B' ' 286' ' ' LEU . 0.3 OUTLIER -91.1 -41.89 10.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 292' ' ' LYS . . . . . 0.73 ' N ' ' HG ' ' B' ' 291' ' ' LEU . 0.0 OUTLIER -41.46 -53.21 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.456 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . 0.428 ' OE2' ' CD ' ' B' ' 356' ' ' GLN . 0.1 OUTLIER -65.61 -38.08 88.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.397 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 294' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' B' ' 291' ' ' LEU . 12.8 tpp85 -45.12 -40.6 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.373 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -50.36 -47.62 56.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 296' ' ' GLY . . . . . . . . . . . . . . . -53.06 -42.38 61.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 297' ' ' ASP . . . . . 0.537 ' OD2' HG23 ' B' ' 333' ' ' THR . 1.0 OUTLIER -63.3 -40.92 98.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.813 0.34 . . . . 0.0 110.285 179.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 298' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' B' ' 279' ' ' PHE . 1.6 mm? -55.55 -46.3 77.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.295 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 299' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -56.61 -41.88 77.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.249 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 300' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.18 95.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.263 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.468 HD22 HD11 ' B' ' 249' ' ' LEU . 58.1 mt -61.26 -42.42 98.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.326 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 302' ' ' GLY . . . . . . . . . . . . . . . -60.41 -42.56 98.99 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 303' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -39.95 86.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.388 . . . . 0.0 110.354 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 304' ' ' ARG . . . . . 0.504 ' NH1' ' CZ ' ' B' ' 223' ' ' PHE . 15.3 mmm-85 -65.04 -41.04 95.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.402 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 305' ' ' LEU . . . . . 0.498 HD21 HD11 ' B' ' 216' ' ' LEU . 4.6 mp -60.78 -39.52 89.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . 0.563 ' O ' ' OD1' ' B' ' 310' ' ' ASP . 0.6 OUTLIER -65.28 -37.37 86.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.293 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 307' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.45 -45.09 80.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.351 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 308' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' B' ' 219' ' ' ALA . 76.8 m-70 -71.04 -23.86 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.44 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 309' ' ' LEU . . . . . 0.7 HD22 ' CB ' ' B' ' 215' ' ' ALA . 0.4 OUTLIER -63.05 -15.49 56.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.504 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 310' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' B' ' 306' ' ' LEU . 0.0 OUTLIER -123.89 108.44 12.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -55.94 -6.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.499 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 312' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' B' ' 310' ' ' ASP . . . -77.52 -23.14 50.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.556 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 313' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -146.49 150.37 35.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 314' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 176.53 91.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.505 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 315' ' ' GLY . . . . . . . . . . . . . . . 116.59 -159.8 13.75 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -73.64 144.16 35.15 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.812 2.342 . . . . 0.0 112.12 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 317' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.74 144.54 49.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 318' ' ' ALA . . . . . . . . . . . . . . . 43.54 44.9 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 319' ' ' TRP . . . . . 0.686 ' CD2' ' O ' ' B' ' 319' ' ' TRP . 0.0 OUTLIER -84.61 120.03 73.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 320' ' ' PRO . . . . . 0.408 ' O ' ' CD1' ' B' ' 319' ' ' TRP . 49.1 Cg_endo -72.63 -178.46 3.42 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.861 2.374 . . . . 0.0 112.057 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 321' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -59.67 -35.65 74.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.6 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 322' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' B' ' 323' ' ' PHE . 0.0 OUTLIER -160.26 163.85 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 323' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' B' ' 322' ' ' ARG . 49.9 p90 178.35 169.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . 0.469 ' C ' HD12 ' B' ' 324' ' ' ILE . 2.3 pp -107.13 156.47 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.587 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 33.2 tp -94.71 114.81 26.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . 0.722 HG13 ' O ' ' B' ' 326' ' ' VAL . 7.8 p -114.13 93.92 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.699 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' B' ' 348' ' ' VAL . . . -128.7 163.1 25.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.528 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 328' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 329' ' ' GLU . 43.2 p-10 -71.83 -27.46 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.542 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . 0.461 ' N ' ' OD1' ' B' ' 328' ' ' ASP . 9.7 pt-20 -144.37 135.3 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.839 HD23 HG22 ' B' ' 348' ' ' VAL . 0.2 OUTLIER -83.28 126.38 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.477 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 331' ' ' SER . . . . . . . . . . . . . 6.0 t -137.1 130.52 31.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -53.44 -38.57 63.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.561 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . 0.537 HG23 ' OD2' ' B' ' 297' ' ' ASP . 11.6 p -53.42 -43.13 67.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.541 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 98.7 m -59.18 -47.32 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.493 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.461 HD11 HD22 ' B' ' 343' ' ' LEU . 0.8 OUTLIER -58.79 -30.87 67.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 336' ' ' ALA . . . . . 0.779 ' HB2' ' CZ ' ' B' ' 242' ' ' PHE . . . -64.37 -3.52 3.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.51 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -93.64 -41.48 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.477 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.75 147.66 37.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 339' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.7 143.21 37.18 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.815 2.343 . . . . 0.0 112.181 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 340' ' ' GLN . . . . . 0.403 HE22 ' CD2' ' B' ' 364' ' ' LEU . 1.7 mt-30 -61.29 -20.98 63.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -62.49 -43.21 99.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.455 ' HE ' ' HE1' ' B' ' 319' ' ' TRP . 9.3 mpt_? -76.95 -22.14 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.502 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.461 HD22 HD11 ' B' ' 335' ' ' LEU . 15.5 tp -69.6 114.75 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.95 7.25 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.641 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 345' ' ' GLY . . . . . . . . . . . . . . . 174.37 164.27 29.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.526 ' HB ' HG23 ' B' ' 368' ' ' THR . 0.2 OUTLIER -141.56 139.66 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.936 0.398 . . . . 0.0 110.649 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.78 127.14 44.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.521 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 348' ' ' VAL . . . . . 0.839 HG22 HD23 ' B' ' 330' ' ' LEU . 1.4 t -126.97 146.59 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.616 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . 0.42 ' NH1' ' OE1' ' B' ' 375' ' ' GLN . 49.9 mtp180 -90.79 -37.17 13.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.473 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -135.81 -132.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 351' ' ' GLY . . . . . . . . . . . . . . . 71.28 167.25 7.83 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -108.54 145.29 35.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 0.0 110.583 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.58 -15.07 63.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 354' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -82.32 1.29 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 355' ' ' SER . . . . . 0.448 ' OG ' ' HB2' ' B' ' 358' ' ' ALA . 83.5 p -63.9 153.68 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.588 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . 0.428 ' CD ' ' OE2' ' B' ' 293' ' ' GLU . 15.1 pt20 -63.81 -43.32 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.61 94.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 358' ' ' ALA . . . . . 0.448 ' HB2' ' OG ' ' B' ' 355' ' ' SER . . . -58.56 -41.3 85.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 88.9 mt -73.32 -28.94 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 360' ' ' MET . . . . . 0.649 ' O ' HD13 ' B' ' 364' ' ' LEU . 15.5 tmm? -66.8 -48.79 67.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.512 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . 0.523 HG23 ' N ' ' B' ' 362' ' ' ARG . 23.7 m -66.7 -45.84 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 362' ' ' ARG . . . . . 0.523 ' N ' HG23 ' B' ' 361' ' ' VAL . 18.0 ttp180 -61.64 -42.77 99.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.465 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.27 -24.36 63.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 364' ' ' LEU . . . . . 0.649 HD13 ' O ' ' B' ' 360' ' ' MET . 2.2 mp -73.35 -25.45 60.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.64 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 365' ' ' GLY . . . . . . . . . . . . . . . 96.18 36.31 5.23 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 366' ' ' ILE . . . . . 0.682 ' CG2' ' HD2' ' B' ' 367' ' ' PRO . 34.7 mm -116.73 142.99 30.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.58 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 367' ' ' PRO . . . . . 0.682 ' HD2' ' CG2' ' B' ' 366' ' ' ILE . 53.3 Cg_endo -73.34 126.99 11.46 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.816 2.344 . . . . 0.0 112.126 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 368' ' ' THR . . . . . 0.526 HG23 ' HB ' ' B' ' 346' ' ' VAL . 87.9 m -137.36 145.09 42.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.612 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 369' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.14 147.0 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 370' ' ' MET . . . . . 0.953 ' O ' ' HB1' ' B' ' 173' ' ' ALA . 6.0 mtt -126.94 163.32 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 98.91 -9.63 61.85 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 372' ' ' ALA . . . . . . . . . . . . . . . -57.77 119.18 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 373' ' ' ASP . . . . . 0.516 ' OD1' HD13 ' B' ' 171' ' ' ILE . 33.2 p30 -108.24 54.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.579 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 29.9 mm -111.86 122.35 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.609 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 375' ' ' GLN . . . . . 0.42 ' OE1' ' NH1' ' B' ' 349' ' ' ARG . 6.7 mm100 -59.41 115.73 13.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.566 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 376' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.56 -39.29 29.35 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.781 2.321 . . . . 0.0 112.172 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 377' ' ' SER . . . . . . . . . . . . . 82.3 p -51.74 -49.33 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.66 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 378' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.09 -36.45 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 379' ' ' LEU . . . . . 0.71 ' O ' ' N ' ' B' ' 381' ' ' ARG . 48.6 mt -65.29 -31.49 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.54 ' C ' ' O ' ' B' ' 379' ' ' LEU . 18.8 t-160 26.41 -83.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 381' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' B' ' 379' ' ' LEU . 0.0 OUTLIER -146.23 26.09 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 382' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' B' ' 184' ' ' GLU . 6.7 mtt-85 -68.39 178.41 1.98 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . 0.467 ' O ' ' OD1' ' B' ' 396' ' ' ASP . 92.4 m -97.74 134.44 40.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 384' ' ' LEU . . . . . 1.092 HD22 ' O ' ' B' ' 384' ' ' LEU . 0.0 OUTLIER -146.23 127.45 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.534 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 385' ' ' ILE . . . . . 0.509 ' N ' HD12 ' B' ' 385' ' ' ILE . 4.3 mp -103.1 128.46 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.68 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 386' ' ' VAL . . . . . . . . . . . . . 8.8 m -104.55 146.06 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.471 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 387' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' B' ' 391' ' ' GLY . 67.1 t0 -134.1 83.56 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.514 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 388' ' ' GLY . . . . . . . . . . . . . . . -57.37 -38.56 87.41 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 389' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.23 -54.2 34.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.593 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 390' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' B' ' 390' ' ' ARG . 0.0 OUTLIER -95.28 -5.97 42.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.549 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' B' ' 387' ' ' ASP . . . 56.13 64.12 4.68 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 392' ' ' GLU . . . . . 0.464 ' HG2' ' H ' ' B' ' 393' ' ' LEU . 0.9 OUTLIER -143.4 157.19 44.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.529 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.464 ' H ' ' HG2' ' B' ' 392' ' ' GLU . 50.3 tp -125.44 126.36 44.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.501 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 394' ' ' LEU . . . . . 0.681 ' HB3' ' HG3' ' B' ' 397' ' ' PRO . 15.8 mt -99.67 141.59 32.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 395' ' ' VAL . . . . . 0.768 ' C ' ' HD3' ' B' ' 397' ' ' PRO . 0.0 OUTLIER -117.47 99.07 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.536 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 396' ' ' ASP . . . . . 0.567 ' N ' ' CD ' ' B' ' 397' ' ' PRO . 0.1 OUTLIER 28.04 47.93 0.22 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 397' ' ' PRO . . . . . 0.768 ' HD3' ' C ' ' B' ' 395' ' ' VAL . 39.3 Cg_endo -70.21 166.63 27.53 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.885 2.39 . . . . 0.0 112.155 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -43.05 142.49 1.48 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.605 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' B' ' 403' ' ' GLN . 45.8 Cg_endo -71.79 -20.65 25.96 Favored 'Trans proline' 0 C--N 1.303 -1.837 0 C-N-CA 122.721 2.28 . . . . 0.0 112.189 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 400' ' ' VAL . . . . . 0.418 HG13 ' N ' ' B' ' 401' ' ' LEU . 9.2 p -84.09 -37.11 12.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.606 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 401' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' B' ' 401' ' ' LEU . 0.5 OUTLIER -69.03 -45.55 70.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.52 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . 0.864 ' O ' HD23 ' B' ' 402' ' ' LEU . 3.3 tt -71.73 -24.31 61.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' B' ' 399' ' ' PRO . 57.3 tt0 -68.0 -46.63 70.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 404' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.62 -47.43 60.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.587 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 405' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -45.07 -44.41 10.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.531 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -66.39 -35.07 79.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -76.06 -38.01 57.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' B' ' 411' ' ' GLU . 3.2 mp -78.38 -64.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 409' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 410' ' ' SER . 1.9 tp -43.43 -38.29 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.576 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 410' ' ' SER . . . . . 0.471 ' N ' ' CG2' ' B' ' 409' ' ' ILE . 84.6 p -70.97 -20.59 62.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.521 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 411' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' B' ' 408' ' ' LEU . 87.8 mt-10 -126.32 -92.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.574 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 412' ' ' GLU . . . . . 0.804 ' C ' HD13 ' B' ' 413' ' ' ILE . 23.7 pt-20 30.74 -133.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.505 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 413' ' ' ILE . . . . . 0.804 HD13 ' C ' ' B' ' 412' ' ' GLU . 0.0 OUTLIER -110.86 -85.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -160.44 -126.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.628 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 415' ' ' LEU . . . . . 0.703 ' O ' ' C ' ' B' ' 416' ' ' SER . 1.5 mt -59.92 -64.62 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.619 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.738 ' O ' ' N ' ' B' ' 418' ' ' LEU . 0.9 OUTLIER 1.0 -70.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.581 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 417' ' ' ARG . . . . . 0.681 ' N ' ' O ' ' B' ' 415' ' ' LEU . 0.4 OUTLIER -35.05 -20.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 418' ' ' LEU . . . . . 0.949 HD12 ' N ' ' B' ' 419' ' ' ALA . 0.1 OUTLIER -34.21 156.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 419' ' ' ALA . . . . . 0.949 ' N ' HD12 ' B' ' 418' ' ' LEU . . . 74.35 149.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.61 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 420' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' B' ' 423' ' ' VAL . 58.9 mm-40 -98.08 110.33 22.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.61 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 421' ' ' ASP . . . . . 0.6 ' C ' ' H ' ' B' ' 423' ' ' VAL . 75.6 m-20 -82.98 152.74 25.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.522 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' B' ' 422' ' ' ASP . 0.4 OUTLIER 62.25 -8.08 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.538 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 423' ' ' VAL . . . . . 0.6 ' H ' ' C ' ' B' ' 421' ' ' ASP . 43.2 t -136.11 150.83 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.644 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 424' ' ' ASN . . . . . 0.503 ' O ' ' NH2' ' B' ' 172' ' ' ARG . 2.8 m120 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.051 -0.975 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 stop_ save_